COAGULIN N

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H48O12
Molecular Weight	648.7377
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@H]1CC(=O)[C@@]2(C)C(C1)=CC[C@]3([H])[C@]2([H])CC[C@]4(C)[C@@]5(O)C[C@H](O)[C@@]34O[C@@]5(C)[C@@]6([H])CC(C)=C(C)C(=O)O6)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=ANASGKSCMVYISY-HNTGIVAOSA-N

InChI=1S/C34H48O12/c1-15-10-24(45-28(41)16(15)2)32(5)33(42)13-23(37)34(46-32)20-7-6-17-11-18(43-29-27(40)26(39)25(38)21(14-35)44-29)12-22(36)31(17,4)19(20)8-9-30(33,34)3/h6,18-21,23-27,29,35,37-40,42H,7-14H2,1-5H3/t18-,19+,20-,21-,23+,24-,25-,26+,27-,29-,30-,31+,32+,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H48O12
Molecular Weight	648.7377
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:07:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:14 GMT 2023`
Record UNII	U9M4TX4PKW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COAGULIN N

Common Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 14,20-EPOXY-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-15,17,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,15.ALPHA.,17.ALPHA.,20S,22R)-

Systematic Name

English

(+)-COAGULIN N

Common Name

English

(1R,2R,7R,10R,11S,14R,15S,16S,18S)-16-((2R)-4,5-DIMETHYL-6-OXO-2,3-DIHYDROPYRAN-2-YL)-15,18-DIHYDROXY-10,14,16-TRIMETHYL-7-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY-17-OXAPENTACYCLO(13.2.2.01,14.02,11.05,10)NONADEC-4-EN-9-ONE

Systematic Name

English

Code System Code Type Description

CAS

220381-51-1

Created by admin on Sat Dec 16 10:07:14 GMT 2023 , Edited by admin on Sat Dec 16 10:07:14 GMT 2023

PRIMARY

PUBCHEM

10675736

Created by admin on Sat Dec 16 10:07:14 GMT 2023 , Edited by admin on Sat Dec 16 10:07:14 GMT 2023

PRIMARY

FDA UNII

U9M4TX4PKW

Created by admin on Sat Dec 16 10:07:14 GMT 2023 , Edited by admin on Sat Dec 16 10:07:14 GMT 2023

PRIMARY

Related Record Type Details


					1ROU50K5GK

WITHANIA COAGULANS WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: