PONASTERONE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O6
Molecular Weight	464.6347
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=PJYYBCXMCWDUAZ-VNHCOKMVSA-N

InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20-,21+,22-,23+,24+,25+,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O6
Molecular Weight	464.6347
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:34:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:34:16 GMT 2025`
Record UNII	RJR8EQ9RMZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PONASTERONE B

Common Name

English

PONASTERON B

Preferred Name

English

5.BETA.-CHOLEST-7-EN-6-ONE, 2.ALPHA.,3.ALPHA.,14,20,22-PENTAHYDROXY-, (22R)-

Systematic Name

English

(2.ALPHA.,3.ALPHA.,5.BETA.,22R)-2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE

Systematic Name

English

(2R,3S,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-DIHYDROXY-6-METHYLHEPTAN-2-YL)-2,3,14-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,9,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-6-ONE

Systematic Name

English

CHOLEST-7-EN-6-ONE, 2,3,14,20,22-PENTAHYDROXY-, (2.ALPHA.,3.ALPHA.,5.BETA.,22R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12314451

Created by admin on Mon Mar 31 22:34:16 GMT 2025 , Edited by admin on Mon Mar 31 22:34:16 GMT 2025

PRIMARY

CAS

19338-77-3

Created by admin on Mon Mar 31 22:34:16 GMT 2025 , Edited by admin on Mon Mar 31 22:34:16 GMT 2025

PRIMARY

FDA UNII

RJR8EQ9RMZ

Created by admin on Mon Mar 31 22:34:16 GMT 2025 , Edited by admin on Mon Mar 31 22:34:16 GMT 2025

PRIMARY