CHLOROGENIN

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@]12C[C@@]3([H])[C@]4([H])C[C@H](O)[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2

InChI

InChIKey=PZNPHSFXILSZTM-JUGSJECZSA-N

InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)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	12 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:04 GMT 2023` Edited by `admin` on `Sat Dec 16 08:09:04 GMT 2023`
Record UNII	K8Z178V1DG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROGENIN

Common Name

English

CHLOROGENIN [MI]

Common Name

English

SPIROSTAN-3,6-DIOL, (3.BETA.,5.ALPHA.,6.ALPHA.,25R)-

Systematic Name

English

(25R)-5.ALPHA.-SPIROSTAN-3.BETA.,6.ALPHA.-DIOL

Common Name

English

Code System Code Type Description

MERCK INDEX

m3414