RETIGERIC ACID B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O6
Molecular Weight	502.6826
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]3(C)[C@H]4CC[C@H]5[C@@](C)([C@@H](O)[C@H](O)C[C@]5(C(O)=O)C4=CC[C@@]23C)C(O)=O

InChI

InChIKey=XVMVGCGRZAZPIF-QOYIRNJZSA-N

InChI=1S/C30H46O6/c1-16(2)17-7-9-21-26(17,3)13-14-27(4)18-8-10-22-29(6,24(33)34)23(32)20(31)15-30(22,25(35)36)19(18)11-12-28(21,27)5/h11,16-18,20-23,31-32H,7-10,12-15H2,1-6H3,(H,33,34)(H,35,36)/t17-,18+,20-,21-,22+,23+,26-,27-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O6
Molecular Weight	502.6826
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 `Wed Apr 02 08:39:18 GMT 2025` Edited by `admin` on `Wed Apr 02 08:39:18 GMT 2025`
Record UNII	5M66ARA2BR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RETIGERIC ACID B

Common Name

English

(3R,3aR,5aR,5bR,7aR,8S,9R,10R,11aR,13aS,13bR)-9,10-Dihydroxy-3a,5a,8,13a-tetramethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,13,13a,13b-octadecahydro-11aH-cyclopenta[a]chrysene-8,11a-dicarboxylic acid

Preferred Name

English

A-NEO-26,28-DINORGAMMACER-9(11)-ENE-23,25-DIOIC ACID, 2,3-DIHYDROXY-13,17-DIMETHYL-, (2.ALPHA.,3.BETA.,4.ALPHA.,8.ALPHA.,13.ALPHA.,14.BETA.,17.ALPHA.,18.BETA.)-

Systematic Name

English

(2.ALPHA.,3.BETA.,4.ALPHA.,8.ALPHA.,13.ALPHA.,14.BETA.,17.ALPHA.,18.BETA.)-2,3-DIHYDROXY-13,17-DIMETHYL-A-NEO-26,28-DINORGAMMACER-9(11)-ENE-23,25-DIOIC ACID

Systematic Name

English

D:C-FRIEDO-B:A-NEOGAMMACER-9(11)-ENE-23,25-DIOIC ACID, 2,3-DIHYDROXY-, (2.ALPHA.,3.BETA.,4.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

38327-77-4