DIGININ

Details

Stereochemistry	EPIMERIC
Molecular Formula	C28H40O7
Molecular Weight	488.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1CC(O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](CC=C3C2)[C@H]5C(=O)C[C@@H]6[C@H](C)O[C@H](C4=O)[C@@]56C)O[C@H](C)[C@@H]1O

InChI

InChIKey=WOLJVUSLKTUJMB-CQVXBPKBSA-N

InChI=1S/C28H40O7/c1-13-18-11-19(29)22-17-7-6-15-10-16(35-21-12-20(32-5)24(30)14(2)33-21)8-9-27(15,3)23(17)25(31)26(34-13)28(18,22)4/h6,13-14,16-18,20-24,26,30H,7-12H2,1-5H3/t13-,14+,16-,17-,18+,20+,21?,22-,23+,24-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O7
Molecular Weight	488.613
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:23:59 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:59 GMT 2025`
Record UNII	739BW6AP3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGININ

Common Name

English

3.BETA.-(DIGINOSYLOXY)-12.ALPHA.,20.ALPHA.-EPOXY-14.BETA.,17.ALPHA.-PREGN-5-ENE-11,15-DIONE

Preferred Name

English

DIGININ [MI]

Common Name

English

PREGN-5-ENE-11,15-DIONE, 3-((2,6-DIDEOXY-3-O-METHYL-D-LYXO-HEXOPYRANOSYL)OXY)-12,20-EPOXY-, (3.BETA.,12.ALPHA.,14.BETA.,17.ALPHA.,20S)-

Systematic Name

English

Code System Code Type Description

CAS

467-53-8