3-OXODIGOXIGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O5
Molecular Weight	388.4972
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CCC(=O)C2

InChI

InChIKey=POWMMMXVDBMFMP-QPMAGJLNSA-N

InChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O5
Molecular Weight	388.4972
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:51 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:51 UTC 2023`
Record UNII	DVS6F48Y72
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OXODIGOXIGENIN

Common Name

English

3-KETODIGOXIGENIN

Common Name

English

3-DIGOXIGENONE

Common Name

English

12.BETA.,14.BETA.-DIHYDROXY-3-OXO-5.BETA.,14.BETA.-CARD-20(22)-ENOLIDE

Systematic Name

English

CARD-20(22)-ENOLIDE, 12,14-DIHYDROXY-3-OXO-, (5.BETA.,12.BETA.)-

Systematic Name

English

3-DEHYDRODIGOXIGENIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10963218