COAGULIN O

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H50O11
Molecular Weight	634.7542
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@H](CC(=O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=ZGFSMKCODQJWHY-DKZVLZAESA-N

InChI=1S/C34H50O11/c1-16-12-25(45-29(40)17(16)2)33(5,41)23-9-11-34(42)21-7-6-18-13-19(43-30-28(39)27(38)26(37)22(15-35)44-30)14-24(36)32(18,4)20(21)8-10-31(23,34)3/h6,19-23,25-28,30,35,37-39,41-42H,7-15H2,1-5H3/t19-,20+,21-,22-,23+,25-,26-,27+,28-,30-,31-,32+,33-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H50O11
Molecular Weight	634.7542
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:03:09 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:09 GMT 2025`
Record UNII	E5CU44H2XD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN O

Common Name

English

(+)-COAGULIN O

Preferred Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-14,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,22R)-

Systematic Name

English

(2R)-2-((1R)-1-HYDROXY-1-((3R,8R,9S,10R,13R,14R,17S)-14-HYDROXY-10,13-DIMETHYL-1-OXO-3-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY-3,4,7,8,9,11,12,15,16,17-DECAHYDRO-2H-CYCLOPENTA(A)PHENANTHREN-17-YL)ETHYL)-4,5-DIMETHYL-2,3-DIHYDROP

Systematic Name

English

Code System Code Type Description

PUBCHEM

10770343

Created by admin on Mon Mar 31 23:03:09 GMT 2025 , Edited by admin on Mon Mar 31 23:03:09 GMT 2025

PRIMARY

FDA UNII

E5CU44H2XD

Created by admin on Mon Mar 31 23:03:09 GMT 2025 , Edited by admin on Mon Mar 31 23:03:09 GMT 2025

PRIMARY

CAS

220381-52-2

Created by admin on Mon Mar 31 23:03:09 GMT 2025 , Edited by admin on Mon Mar 31 23:03:09 GMT 2025

PRIMARY

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WITHANIA COAGULANS WHOLE

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Amount: