(3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione | 66726-11-2

分子结构分类

有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质

中文名称

——

中文别名

——

英文名称

(3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

英文别名

11-exo-methylenesantonin；3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide；(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione

(3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione化学式

CAS

66726-11-2

化学式

C₁₅H₁₆O₃

mdl

——

分子量

244.29

InChiKey

SOEFILJAGJAINE-XEGUGMAKSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

2.2
重原子数：

18
可旋转键数：

0
环数：

3.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

43.4
氢给体数：

0
氢受体数：

3

SDS

SDS：97761075832e37c5412d74049ad7768d

查看

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
山道年	santonin	481-06-1	C₁₅H₁₈O₃	246.306
——	3-oxo-11-phenylselenoeudesma-1,4-dien-6,12-olide	66726-12-3	C₂₁H₂₂O₃Se	401.364
——	(+/-)-Tuberiferin	18375-00-3	C₁₅H₁₈O₃	246.306
——	3,3-(ethylenedioxy)eudesm-11(12)-eno-13,6α-lactone	110193-06-1	C₁₇H₂₄O₄	292.375

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-oxo-7αH,6,11βH-13-acetyl-eudesma-1,4-dien-6,12-olide	1261992-84-0	C₁₇H₂₀O₄	288.343
——	(3E,3aS,5aS,9bS)-3-[(4-fluorophenyl)methylidene]-5a,9-dimethyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione	1187652-99-8	C₂₁H₁₉FO₃	338.378
——	(3E,3aS,5aS,9bS)-3-[(4-chlorophenyl)methylidene]-5a,9-dimethyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione	1187652-98-7	C₂₁H₁₉ClO₃	354.833
——	(3E,3aS,5aS,9bS)-3-[(2-fluorophenyl)methylidene]-5a,9-dimethyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione	1187653-01-5	C₂₁H₁₉FO₃	338.378
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-dipropylaminomethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217295-41-4	C₂₁H₃₁NO₃	345.482
——	(3aS,5aS,9bS)-3-(azepan-1-ylmethyl)-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-70-9	C₂₁H₂₉NO₃	343.466
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-(3,3-dimethylpiperidin-1-ylmethyl)-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	956935-91-4	C₂₂H₃₁NO₃	357.493
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-(3,3,5-trimethylazepan-1-ylmethyl)-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	956932-65-3	C₂₄H₃₅NO₃	385.547
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-(morpholin-4-ylmethyl)-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-69-6	C₁₉H₂₅NO₄	331.412
——	parishin A	——	C₁₅H₁₈O₄	262.306
——	methyl 3-[(E)-[(3aS,5aS,9bS)-5a,9-dimethyl-2,8-dioxo-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3-ylidene]methyl]benzoate	1187653-00-4	C₂₃H₂₂O₅	378.425
——	11,13-dehydromazdasantonin	1261992-76-0	C₁₅H₁₆O₃	244.29
——	(3aS,5aS,9bS)-3-(4-benzylpiperidin-1-ylmethyl)-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	956935-93-6	C₂₇H₃₃NO₃	419.564
——	(3aS,5aS,9bS)-3-[(2-hydroxy-2-phenylethylamino)methyl]-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-64-1	C₂₃H₂₇NO₄	381.472
——	(3aS,5aS,9bS)-3-(4-benzylpiperazin-1-ylmethyl)-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	956940-08-2	C₂₆H₃₂N₂O₃	420.552
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-(1-phenylpiperazin-4-ylmethyl)-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-72-1	C₂₅H₃₀N₂O₃	406.525
——	(3aS,6R,8S,9bS)-8-hydroxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	——	C₁₇H₂₂O₅	306.359
——	(3aS,5aS,9bS)-3-[4-(4-methoxyphenyl)piperazin-1-ylmethyl]-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	957020-91-6	C₂₆H₃₂N₂O₄	436.551
——	(3aS,5aS,9bS)-3-{[(benzo[1,3]dioxol-5-ylmethyl)amino]methyl}-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-65-2	C₂₃H₂₅NO₅	395.455
——	(3aS,5aS,9bS)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	956932-60-8	C₂₄H₂₇NO₃	377.483
——	(3aS,5aS,9bS)-3-{[2-(indol-3-yl)ethylamino]methyl}-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-66-3	C₂₅H₂₈N₂O₃	404.509
——	(3aS,6R,8S,9bS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (E)-3-(4-chlorophenyl)acrylate	——	C₂₆H₂₇ClO₆	470.95
——	(3aS,5aS,9bS)-5a,9-dimethyl-3-{2-methyl-[4-(3-methoxyphenyl)]piperazin-1-ylmethyl}-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-73-2	C₂₇H₃₄N₂O₄	450.578
——	(3aS,5aS,9bS)-3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-ylmethyl)-5a,9-dimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione	1217269-74-3	C₂₇H₃₂N₂O₅	464.561
——	(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl (E)-3-(4-ethoxyphenyl)acrylate	——	C₂₈H₃₂O₇	480.558
——	(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-fluorobenzoate	——	C₂₄H₂₅FO₆	428.457
——	(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-(trifluoromethyl)benzoate	——	C₂₅H₂₅F₃O₆	478.465
——	(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-(tert-butyl)benzoate	——	C₂₈H₃₄O₆	466.574
——	(3S,3αS,6R,8S,9βS)-8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-6-yl acetate	1188382-12-8	C₁₇H₂₄O₅	308.375
——	(3aR,5aS,9bS)-5a,9-dimethyl-3'-phenylspiro[3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3,5'-4H-1,2-oxazole]-2,8-dione	1443017-46-6	C₂₂H₂₁NO₄	363.413
——	(3aR,5aS,9bS)-3'-(4-bromophenyl)-5a,9-dimethylspiro[3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3,5'-4H-1,2-oxazole]-2,8-dione	1443017-61-5	C₂₂H₂₀BrNO₄	442.309
——	(3aR,5aS,9bS)-5a,9-dimethyl-3'-naphthalen-2-ylspiro[3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3,5'-4H-1,2-oxazole]-2,8-dione	1443017-54-6	C₂₆H₂₃NO₄	413.473
——	(3aR,5aS,9bS)-3'-(4-hydroxyphenyl)-5a,9-dimethylspiro[3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3,5'-4H-1,2-oxazole]-2,8-dione	1443017-57-9