Dihydrodigoxigenin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H36O5
Molecular Weight	392.5289
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(COC(=O)C1)[C@@]2([H])CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])C[C@@H](O)[C@]23C

InChI

InChIKey=MWPLZPAHTHIKQB-YNFYBLEISA-N

InChI=1S/C23H36O5/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/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H36O5
Molecular Weight	392.5289
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 `Sat Dec 16 15:42:54 GMT 2023` Edited by `admin` on `Sat Dec 16 15:42:54 GMT 2023`
Record UNII	FT776QDZ4Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dihydrodigoxigenin

Common Name

English

Cardanolide, 3,12,14-trihydroxy-, (3β,5β,12β)-

Systematic Name

English

5β-Cardanolide, 3β,12β,14-trihydroxy-

Systematic Name

English

20,22-Dihydro-digoxigenin

Systematic Name

English

(4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

94291