COAGULIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36O5
Molecular Weight	452.5824
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(CO)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=XLKFUJPNXPVFRF-PLHQXEFPSA-N

InChI=1S/C28H36O5/c1-16-14-23(32-24(31)18(16)15-29)27(4)21-11-13-28(33-27)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29H,7,9-15H2,1-4H3/t19-,20+,21+,23+,25+,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36O5
Molecular Weight	452.5824
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 10:44:31 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:31 GMT 2023`
Record UNII	N78NC96BZQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN B

Common Name

English

ERGOSTA-2,5,24-TRIEN-26-OIC ACID,14,20-EPOXY-22,27-DIHYDROXY-1-OXO-, LACTONE,(17R,20R,22R)

Systematic Name

English

(1R,2R,10R,11S,14R,15R,16R)-16-((2R)-5-(HYDROXYMETHYL)-4-METHYL-6-OXO-2,3-DIHYDROPYRAN-2-YL)-10,14,16-TRIMETHYL-17-OXAPENTACYCLO(13.2.2.01,14.02,11.05,10)NONADECA-4,6-DIEN-9-ONE

Systematic Name

English

ERGOSTA-2,5,24-TRIEN-26-OIC ACID, 14,20-EPOXY-22,27-DIHYDROXY-1-OXO-, .DELTA.-LACTONE, (17.ALPHA.,20R,22R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10599742

Created by admin on Sat Dec 16 10:44:31 GMT 2023 , Edited by admin on Sat Dec 16 10:44:31 GMT 2023

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CAS

207678-75-9

Created by admin on Sat Dec 16 10:44:31 GMT 2023 , Edited by admin on Sat Dec 16 10:44:31 GMT 2023

PRIMARY

FDA UNII

N78NC96BZQ

Created by admin on Sat Dec 16 10:44:31 GMT 2023 , Edited by admin on Sat Dec 16 10:44:31 GMT 2023

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