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

[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](OC(C)=O)[C@@H](C[C@]56C)OC(C)=O)[C@]4([H])[C@@H]2O

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	12 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:50 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:50 GMT 2023`
Record UNII	6U0VGN877K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITOGENIN 2,3-DIACETATE

Common Name

English

DIGITOGENIN 2,3-DIACETATE [MI]

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 Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023

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MERCK INDEX

m4449

Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023

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Merck Index

FDA UNII

6U0VGN877K

Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023

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PUBCHEM

73425444

Created by admin on Sat Dec 16 10:41:50 GMT 2023 , Edited by admin on Sat Dec 16 10:41:50 GMT 2023

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