BALSAMINOL B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H52O4
Molecular Weight	488.7422
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
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)[C@]4(C)CO)[C@]3(C)CC[C@]12C)[C@H](C)C[C@@H](O)C=C(C)C

InChI

InChIKey=XIQPIAMRFKEZPL-IQOYCCEYSA-N

InChI=1S/C31H52O4/c1-19(2)15-21(33)16-20(3)22-11-12-31(7)27-25(35-8)17-24-23(9-10-26(34)29(24,5)18-32)28(27,4)13-14-30(22,31)6/h15,17,20-23,25-27,32-34H,9-14,16,18H2,1-8H3/t20-,21+,22-,23-,25+,26+,27-,28+,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	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:15:18 GMT 2023` Edited by `admin` on `Sat Dec 16 18:15:18 GMT 2023`
Record UNII	7DPG7ZT7JE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALSAMINOL B

Common Name

English

(3S,4S,7S,8R,9S,10S,13R,14S,17R)-4-(HYDROXYMETHYL)-17-((2R,4R)-4-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-7-METHOXY-4,9,13,14-TETRAMETHYL-2,3,7,8,10,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL

Systematic Name

English

19-NORCHOLESTA-5,24-DIENE-3,23-DIOL, 4-(HYDROXYMETHYL)-7-METHOXY-4,9,14-TRIMETHYL-, (3.BETA.,4.BETA.,7.BETA.,9.BETA.,10.ALPHA.,23R)-

Systematic Name

English

(1R,3AS,3BR,4S,6S,7S,9AS,9BS,11AR)-1-((2R,4R)-4-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-6-(HYDROXYMETHYL)-4-METHOXY-3A,6,9B,11A-TETRAMETHYL-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA(A)PHENANTHREN-7-OL

Systematic Name

English

(3.BETA.,4.BETA.,7.BETA.,9.BETA.,10.ALPHA.,23R)-4-(HYDROXYMETHYL)-7-METHOXY-4,9,14-TRIMETHYL-19-NORCHOLESTA-5,24-DIENE-3,23-DIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

44607277