DIGITOGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O5
Molecular Weight	448.6353
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]24C

InChI

InChIKey=COVOPPXLDJVUSC-JPYPKGSXSA-N

InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O5
Molecular Weight	448.6353
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Two new cardenolides from the roots of Streptocaulon griffithii.	2006-12-01	17135046

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:01:54 GMT 2025` Edited by `admin` on `Mon Mar 31 23:01:54 GMT 2025`
Record UNII	0KY44Q8S8O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIGITOGENIN [MI]

Preferred Name

English

DIGITOGENIN

Common Name

English

SPIROSTAN-2,3,15-TRIOL, (2.ALPHA.,3.BETA.,5.ALPHA.,15.BETA.,25R)-

Systematic Name

English

DIGITONIN AGLYCON

Common Name

English

Code System Code Type Description

CAS

511-34-2