COAGULIN S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H42O10
Molecular Weight	538.6271
Optical Activity	( + )
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CO)C(=O)O[C@H](C1)[C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@]23C

InChI

InChIKey=QIHKYOJKCDYVEC-ALBMBVGKSA-N

InChI=1S/C28H42O10/c1-14-10-21(38-22(33)15(14)13-29)25(4,34)27(36)12-20(32)28(37)17-11-19(31)26(35)8-5-6-18(30)24(26,3)16(17)7-9-23(27,28)2/h16-17,19-21,29,31-32,34-37H,5-13H2,1-4H3/t16-,17+,19+,20-,21+,23+,24-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H42O10
Molecular Weight	538.6271
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:33:34 GMT 2025` Edited by `admin` on `Mon Mar 31 23:33:34 GMT 2025`
Record UNII	7Z2XM3H2ER
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COAGULIN S

Common Name

English

ERGOST-24-EN-26-OIC ACID, 5,6,14,15,17,20,22,27-OCTAHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.BETA.,15.ALPHA.,17.ALPHA.,22R)-

Preferred Name

English

Code System Code Type Description

FDA UNII

7Z2XM3H2ER

Created by admin on Mon Mar 31 23:33:34 GMT 2025 , Edited by admin on Mon Mar 31 23:33:34 GMT 2025

PRIMARY

PUBCHEM

21629588

Created by admin on Mon Mar 31 23:33:34 GMT 2025 , Edited by admin on Mon Mar 31 23:33:34 GMT 2025

PRIMARY

CAS

619308-23-5

Created by admin on Mon Mar 31 23:33:34 GMT 2025 , Edited by admin on Mon Mar 31 23:33:34 GMT 2025

PRIMARY

Related Record Type Details


					1ROU50K5GK

WITHANIA COAGULANS WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: