CUCURBALSAMINOL B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H52O4
Molecular Weight	488.7422
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](OC)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)C[C@@H](O)[C@]12C)[C@H](C)C\C=C\C(C)(C)O

InChI

InChIKey=OSNWCRUHKQXEMA-KOBRMIIQSA-N

InChI=1S/C31H52O4/c1-19(11-10-15-27(2,3)34)20-14-16-30(7)26-23(35-9)17-22-21(12-13-24(32)28(22,4)5)29(26,6)18-25(33)31(20,30)8/h10,15,17,19-21,23-26,32-34H,11-14,16,18H2,1-9H3/b15-10+/t19-,20-,21-,23+,24+,25-,26-,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H52O4
Molecular Weight	488.7422
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:25:42 GMT 2023` Edited by `admin` on `Sat Dec 16 18:25:42 GMT 2023`
Record UNII	LCG2BV4NT5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CUCURBALSAMINOL B

Common Name

English

19-Norcholesta-5,23-diene-3,12,25-triol, 7-methoxy-4,4,9,14-tetramethyl-, (3β,7β,9β,10α,12β,23E)-

Systematic Name

English

(3S,7S,8R,9S,10S,12R,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Systematic Name

English

(3.BETA.,7.BETA.,9.BETA.,10.ALPHA.,12.BETA.,23E)-7-METHOXY-4,4,9,14-TETRAMETHYL-19-NORCHOLESTA-5,23-DIENE-3,12,25-TRIOL

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Cucurbalsaminol B