17-cyclopropylmethyl-4,5α-epoxy-3,14β-dihydroxy-morphinane-6-spiro-2-(1,3-dioxolan) | 16676-32-7

分子结构分类

有机化合物 - 苯类化合物 - 菲及其衍生物

中文名称

——

中文别名

——

英文名称

17-cyclopropylmethyl-4,5α-epoxy-3,14β-dihydroxy-morphinane-6-spiro-2-(1,3-dioxolan)

英文别名

(4'R,4'aS,7'aR,12'bS)-3'-(cyclopropylmethyl)spiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-4'a,9'-diol

17-cyclopropylmethyl-4,5α-epoxy-3,14β-dihydroxy-morphinane-6-spiro-2-(1,3-dioxolan)化学式

CAS

16676-32-7

化学式

C₂₂H₂₇NO₅

mdl

——

分子量

385.46

InChiKey

LKLYAPXOLONEKI-RZXSNQJFSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

575.9±50.0 °C(Predicted)
密度：

1.48±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

-0.3
重原子数：

28
可旋转键数：

2
环数：

7.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

71.4
氢给体数：

2
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	6-ketalnoroxymorphone	16739-57-4	C₁₈H₂₁NO₅	331.368
——	(5aR,6R,8aS,11aR,11bS)-2-acetoxy-5,5a,9,10-tetrahydro-11(11aH)-spiro-2-(1,3-dioxolan)-, 6,11b-ethano-7H-furo[2',3',4',5':4,5]phenanthro[9,8a-d]oxazole	1449113-80-7	C₂₁H₂₃NO₆	385.417
纳曲酮	Naltrexone	16590-41-3	C₂₀H₂₃NO₄	341.407
氢羟吗啡酮	oxymorphone	76-41-5	C₁₇H₁₉NO₄	301.342
——	3-acetyloxymorphone	75660-23-0	C₁₉H₂₁NO₅	343.379
——	(5aR,8aS,11aR,11bS)-2-acetoxy-5,5a,9,10-tetrahydro-6,11b-ethano-7Hfuro[2',3',4',5':4,5]phenanthro[9,8a-d]oxazol-11(11aH)-one	1407592-43-1	C₁₉H₁₉NO₅	341.364

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	17-(cyclopropylmethyl)-4,5α-epoxy-14-hydroxy-3-methoxy-6-(1,3-dioxolan-2-yl)morphinan	197242-23-2	C₂₃H₂₉NO₅	399.487
——	3-(benzyloxy)-17-(cyclopropylmethyl)-4,5α-epoxy-14β-hydroxymorphinan-6-one ethane-1,2-diyl acetal	547767-36-2	C₂₉H₃₃NO₅	475.585
——	[(4'R,4'aS,7'aR,12'bS)-3'-(cyclopropylmethyl)-4'a-hydroxyspiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-9'-yl] N,N-diethylcarbamate	619331-80-5	C₂₇H₃₆N₂O₆	484.593
——	(4'R,4a'S,7a'R,12b'S)-10'-chloro-3'-(cyclopropylmethyl)-9'-methoxy-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-ol	619331-82-7	C₂₃H₂₈ClNO₅	433.932
——	(4'R,4a'S,7a'R,12b'S)-11'-chloro-3'-(cyclopropylmethyl)-9'-methoxy-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-ol	619331-77-0	C₂₃H₂₈ClNO₅	433.932
——	17-(cyclopropylmethyl)-4,5α-epoxy-14β-hydroxy-3-(triphenylmethoxy)morphinan-6-one ethane-1,2-diyl acetal	633303-36-3	C₄₁H₄₁NO₅	627.78
——	(4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-9'-yl trifluoromethanesulfonate	263713-00-4	C₂₃H₂₆F₃NO₇S	517.523
——	(4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9'-carbonitrile	1354216-15-1	C₂₃H₂₆N₂O₄	394.47
——	3-benzyloxy-17-cyclopropylmethyl-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxy-14-(3'-hydroxypropyloxy)morphinan	1192542-81-6	C₃₂H₃₉NO₆	533.665
——	(4'R,4a'S,7a'R,12b'S)-9'-amino-3'-(cyclopropylmethyl)-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-ol	263713-05-9	C₂₂H₂₈N₂O₄	384.475
——	3-(((4'R,4a'S,7a'R,12b'S)-9'-(benzyloxy)-3'-(cyclopropylmethyl)-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-yl)oxy)propanamide	1192542-85-0	C₃₂H₃₈N₂O₆	546.664
——	14-allyloxy-3-benzyloxy-17-cyclopropylmethyl-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxymorphinan	1192542-80-5	C₃₂H₃₇NO₅	515.649
——	3-(((4'R,4a'S,7a'R,12b'S)-9'-(benzyloxy)-3'-(cyclopropylmethyl)-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-yl)oxy)propanenitrile	1192542-86-1	C₃₂H₃₆N₂O₅	528.648
——	3-benzyloxy-14-(3'-cyanopropyloxy)-17-cyclopropylmethyl-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxy-morphinan	1192542-83-8	C₃₃H₃₈N₂O₅	542.675
——	17-cyclopropylmethyl-3-benzyloxy-14-(2',3'-dihydroxypropyloxy)-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxymorphinan	1192542-95-2	C₃₂H₃₉NO₇	549.664
——	(3-benzyloxy-17-cyclopropylmethyl-6-(1',3'-dioxolan-2'yl)-4,5α-epoxy-morphinan-14-yloxy)-propionic acid	1192542-89-4	C₃₂H₃₇NO₇	547.648
——	N-acetyl-3-(((4'R,4a'S,7a'R,12b'S)-9'-(benzyloxy)-3'-(cyclopropylmethyl)-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-yl)oxy)propanamide	1192542-94-1	C₃₄H₄₀N₂O₇	588.701
——	(4'R,4a'S,7a'R,12b'S)-10'-chloro-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-9'-yl diethylcarbamate	619331-81-6	C₂₇H₃₅ClN₂O₆	519.038
——	3-benzyloxy-17-cyclopropylmethyl-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxy-14-(3'-methylsulfonyloxypropyloxy)morphinan	1192542-82-7	C₃₃H₄₁NO₈S	611.756
——	3,14-dibenzyloxy-17-cyclopropylmethyl-4,5α-epoxymorphinan-6-spiro-2'-dioxolane	220556-54-7	C₃₆H₃₉NO₅	565.709
——	3-(((4'R,4a'S,7a'R,12b'S)-9'-(benzyloxy)-3'-(cyclopropylmethyl)-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-4a'-yl)oxy)-N-(methylsulfonyl)propanamide	1192542-97-4	C₃₃H₄₀N₂O₈S	624.755
——	methyl (4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9'-carboxylate	263713-01-5	C₂₄H₂₉NO₆	427.497
——	(4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9'-carbohydrazide	263713-02-6	C₂₃H₂₉N₃O₅	427.5
——	3-(benzyloxy)-14β-[(2-chlorobenzyl)oxy]-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-6-one ethane-1,2-diyl acetal	633303-37-4	C₃₆H₃₈ClNO₅	600.154
——	(4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9'-carbonyl azide	263713-03-7	C₂₃H₂₆N₄O₅	438.483
——	(4'R,4a'S,7a'R,12b'S,13'S)-10'-chloro-3'-(cyclopropylmethyl)-9'-methoxy-1',2',3',4',5',6'-hexahydro-4a'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-4a',13'-diol	619331-83-8	C₂₃H₂₈ClNO₆	449.931
——	(4'S,4a'S,7a'R,12b'S)-10'-chloro-3'-(cyclopropylmethyl)-4a'-hydroxy-9'-methoxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-13'-one	619331-84-9	C₂₃H₂₆ClNO₆	447.916
——	N-((4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-9'-yl)methanesulfonamide	263713-06-0	C₂₃H₃₀N₂O₆S	462.567
——	benzyl ((4'R,4a'S,7a'R,12b'S)-3'-(cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinolin]-9'-yl)carbamate	263713-04-8	C₃₀H₃₄N₂O₆	518.61
——	17-cyclopropylmethyl-3-benzyloxy-14-carboxymethoxy-6-(1',3'-dioxolan-2'-yl)-4,5α-epoxymorphinan-N-oxide	1192542-96-3	C₃₁H₃₅NO₈	549.621