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

[H][C@@]12O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@]1([H])[C@@]4(C)CC[C@@]5([H])[C@@]([H])(CC[C@@]6([H])C[C@@H](O)[C@H](O)C[C@]56C)[C@]4([H])[C@@H]2O

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	12 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:09 GMT 2023`
Record UNII	0KY44Q8S8O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITOGENIN

Common Name

English

DIGITOGENIN [MI]

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