COAGULIN I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O7
Molecular Weight	486.5971
Optical Activity	( + )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@@]5([H])[C@@]4([H])C[C@@H](O)[C@@]6(O)CC=CC(=O)[C@]56C

InChI

InChIKey=CCFYFYQWMCVPHP-DEMKYSCBSA-N

InChI=1S/C28H38O7/c1-15-13-21(34-22(31)16(15)2)25(5)28(33)12-11-27(35-25)18-14-20(30)26(32)9-6-7-19(29)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,30,32-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O7
Molecular Weight	486.5971
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:05:24 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:24 GMT 2023`
Record UNII	4TK8SE5UHB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COAGULIN I

Common Name

English

ERGOSTA-2,24-DIEN-26-OIC ACID, 14,20-EPOXY-5,6,17,22-TETRAHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.BETA.,17.ALPHA.,20S,22R)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

10672584

Created by admin on Sat Dec 16 10:05:24 GMT 2023 , Edited by admin on Sat Dec 16 10:05:24 GMT 2023

PRIMARY

FDA UNII

4TK8SE5UHB

Created by admin on Sat Dec 16 10:05:24 GMT 2023 , Edited by admin on Sat Dec 16 10:05:24 GMT 2023

PRIMARY

CAS

216164-10-2

Created by admin on Sat Dec 16 10:05:24 GMT 2023 , Edited by admin on Sat Dec 16 10:05:24 GMT 2023

PRIMARY

Related Record Type Details


					1ROU50K5GK

WITHANIA COAGULANS WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: