DIGITOGENIN TRIDIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H50O8
Molecular Weight	574.7453
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]2OC(C)=O

InChI

InChIKey=RGTOHBSNLAAESE-STTSWXODSA-N

InChI=1S/C33H50O8/c1-17-10-13-33(37-16-17)18(2)27-30(41-33)29(40-21(5)36)28-23-9-8-22-14-25(38-19(3)34)26(39-20(4)35)15-32(22,7)24(23)11-12-31(27,28)6/h17-18,22-30H,8-16H2,1-7H3/t17-,18+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H50O8
Molecular Weight	574.7453
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 10:06:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:09 GMT 2023`
Record UNII	3K30HMI0LW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGITOGENIN TRIDIACETATE

Common Name

English

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

Systematic Name

English

DIGITOGENIN TRIDIACETATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

73425512

Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023

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CAS

881179-88-0

Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023

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FDA UNII

3K30HMI0LW

Created by admin on Sat Dec 16 10:06:09 GMT 2023 , Edited by admin on Sat Dec 16 10:06:09 GMT 2023

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