DIGITOGENIN 2,3-DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H48O7
Molecular Weight	532.7086
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](OC(C)=O)[C@@H](C[C@]6(C)[C@H]5CC[C@]24C)OC(C)=O

InChI

InChIKey=GUQPAKGHLKIJPB-RFIOMHOHSA-N

InChI=1S/C31H48O7/c1-16-9-12-31(35-15-16)17(2)25-28(38-31)27(34)26-21-8-7-20-13-23(36-18(3)32)24(37-19(4)33)14-30(20,6)22(21)10-11-29(25,26)5/h16-17,20-28,34H,7-15H2,1-6H3/t16-,17+,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H48O7
Molecular Weight	532.7086
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
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	6U0VGN877K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITOGENIN 2,3-DIACETATE [MI]

Preferred Name

English

DIGITOGENIN 2,3-DIACETATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

51478-16-1

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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MERCK INDEX

m4449

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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Merck Index

FDA UNII

6U0VGN877K

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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PUBCHEM

73425444

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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