COAGULIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36O4
Molecular Weight	436.583
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
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@@H]2[C@@]3(C)CC[C@@]5([H])[C@@]4([H])CC=C6C=CCC(=O)[C@]56C

InChI

InChIKey=VURCSOXQTCBYLG-PLHQXEFPSA-N

InChI=1S/C28H36O4/c1-16-15-23(31-24(30)17(16)2)27(5)21-12-14-28(32-27)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23H,8,10-15H2,1-5H3/t19-,20+,21+,23+,25+,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36O4
Molecular Weight	436.583
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:29:56 GMT 2023` Edited by `admin` on `Sat Dec 16 17:29:56 GMT 2023`
Record UNII	THB77SC25A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN D

Common Name

English

ERGOSTA-2,5,24-TRIEN-26-OIC ACID, 14,20-EPOXY-22-HYDROXY-1-OXO-, .DELTA.-LACTONE, (17.ALPHA.,20R,22R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

THB77SC25A

Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023

PRIMARY

CAS

207678-77-1

Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023

PRIMARY

PUBCHEM

162368375

Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023

PRIMARY

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