ASPERAGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O5
Molecular Weight	448.6353
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](O)[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@](C)(O)CO6)O2

InChI

InChIKey=ILVZNZHXRYGRGV-UYLOAILUSA-N

InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O5
Molecular Weight	448.6353
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:12:10 GMT 2023` Edited by `admin` on `Sat Dec 16 01:12:10 GMT 2023`
Record UNII	56JLP9B53W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPERAGENIN

Common Name

English

SPIROSTAN-3,6,25-TRIOL, (3.BETA.,5.BETA.,6.ALPHA.,25R)-

Systematic Name

English

Code System Code Type Description

CAS

17305-15-6