DIGALOGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O4
Molecular Weight	432.6359
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
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)CC[C@]56C)[C@]4([H])[C@@H]2O

InChI

InChIKey=DTLPXUYYRJZGLM-VCUHZSQTSA-N

InChI=1S/C27H44O4/c1-15-7-12-27(30-14-15)16(2)21-24(31-27)23(29)22-19-6-5-17-13-18(28)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O4
Molecular Weight	432.6359
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:49 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:49 GMT 2023`
Record UNII	YPX2I5J00S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIGALOGENIN

Common Name

English

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

Systematic Name

English

DIGALOGENIN [MI]

Common Name

English

DIGALOGENINE

Common Name

English

Code System Code Type Description

FDA UNII

YPX2I5J00S