(1S,4R,7S,10S,13S,16S)-24-甲氧基-10-(4-甲氧基苄基)-4,7,9,13,15,29-六甲基-22-氧杂-3,6,9,12,15,29-六氮杂四环[14.12.2.218,21.123,27]三十三-18,20,23(31),24,26,32-己烯-2,5,8,11,14,30-六酮 | 122621-60-7

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

(1S,4R,7S,10S,13S,16S)-24-甲氧基-10-(4-甲氧基苄基)-4,7,9,13,15,29-六甲基-22-氧杂-3,6,9,12,15,29-六氮杂四环[14.12.2.218,21.123,27]三十三-18,20,23(31),24,26,32-己烯-2,5,8,11,14,30-六酮

中文别名

——

英文名称

RA-VII

英文别名

cyclo(D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-N,O-dimethyl-L-tyrosyl) cyclic 5⁴<*>6³ ether；cyclo(D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-N,O-dimethyl-L-tyrosyl) cyclic 5⁴[*]6³ ether；RA VII；(1S,4R,7S,10S,13S,16S)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

(1S,4R,7S,10S,13S,16S)-24-甲氧基-10-(4-甲氧基苄基)-4,7,9,13,15,29-六甲基-22-氧杂-3,6,9,12,15,29-六氮杂四环[14.12.2.218,21.123,27]三十三-18,20,23(31),24,26,32-己烯-2,5,8,11,14,30-六酮化学式

CAS

122621-60-7；144993-87-3；144993-88-4；86229-97-2

化学式

C₄₁H₅₀N₆O₉

mdl

——

分子量

770.883

InChiKey

MBQKTLYFUYNAPZ-FEZMQHRXSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

300 °C(Solv: methanol (67-56-1))
沸点：

1079.1±65.0 °C(Predicted)
密度：

1.165±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

56
可旋转键数：

4
环数：

6.0
sp3杂化的碳原子比例：

0.41
拓扑面积：

176
氢给体数：

3
氢受体数：

9

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
——	deoxybouvadin	64725-24-2	C₄₀H₄₈N₆O₉	756.856
——	(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-hydroxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone	108969-72-8	C₃₉H₄₆N₆O₉	742.829
——	RA-VII	159581-87-0	C₄₁H₅₀N₆O₈S	786.949
——	[Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII	180850-29-7	C₄₁H₅₀N₆O₈S	786.949
——	[Tyr-3-Ψ(CS-NH)-Ala-4; Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII	159581-88-1	C₄₁H₅₀N₆O₇S₂	803.016
——	L,L-N,N-dimethylcycloisodityrosine methyl ester	109011-08-7	C₂₂H₂₆N₂O₅	398.459
——	BOC-D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-N,O-dimethyl-L-tyrosine cyclic 5⁴<*>6³ ether, methyl ester	135226-90-3	C₄₇H₆₂N₆O₁₂	903.042
——	(9S,12S)-12-[((S)-2-tert-Butoxycarbonylamino-propionyl)-methyl-amino]-4-methoxy-10-methyl-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-9-carboxylic acid methyl ester	244769-42-4	C₃₀H₃₉N₃O₈	569.655
——	(9S,12S)-12-[N-(tert-butyloxycarbonyl)-N-methylamino]-2,11-dioxo-4-methoxy-9-methoxycarbonyl-10-methyl-10-azatricyclo[12.2.2.1^3,7]nonadeca-3,5,7(19),14,16,17-hexaene	138605-22-8	C₂₇H₃₄N₂O₇	498.576
——	methyl 4-methoxy-12-amino>-N¹⁰-methyl-11-oxo-2-azatricyclo<12.2.2.1^3,7>nonadeca-3,5,7(19),14,16,17-hexaene-9-carboxylate	135226-89-0	C₃₀H₃₂N₂O₇	532.593
——	methyl N-Cbz-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alaninate	115441-67-3	C₂₆H₃₃N₃O₇	499.564
——	methyl N-Cbz-D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alaninate	115441-69-5	C₂₉H₃₈N₄O₈	570.643
——	methyl (9S,12S)-5-bromo-16,17-dichloro-4-methoxy-10-methyl-12-[methyl(phenylmethoxycarbonyl)amino]-11-oxo-2-oxa-10-azatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-9-carboxylate	108969-75-1	C₃₀H₂₉BrCl₂N₂O₇	680.379
——	methyl (9S,12S)-5-bromo-16,17-dichloro-4-hydroxy-10-methyl-12-[methyl(phenylmethoxycarbonyl)amino]-11-oxo-2-oxa-10-azatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-9-carboxylate	108969-74-0	C₂₉H₂₇BrCl₂N₂O₇	666.353