COAGULIN J

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O6
Molecular Weight	470.5977
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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[C@@H](O)CC(=O)[C@]56C

InChI

InChIKey=SYAAPYCBHNSHLM-DPAWWDGJSA-N

InChI=1S/C28H38O6/c1-15-11-23(33-24(32)18(15)14-29)27(4)21-8-10-28(34-27)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30H,6-14H2,1-4H3/t17-,19+,20-,21-,23-,25-,26+,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O6
Molecular Weight	470.5977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:32 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:32 GMT 2023`
Record UNII	MLN5Q8V6B9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN J

Common Name

English

(1R,2R,7R,10R,11S,14R,15R,16R)-7-HYDROXY-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)NONADEC-4-EN-9-ONE

Systematic Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 14,20-EPOXY-3,22,27-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,17.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MLN5Q8V6B9

Created by admin on Sat Dec 16 10:06:33 GMT 2023 , Edited by admin on Sat Dec 16 10:06:33 GMT 2023

PRIMARY

CAS

216164-41-9

Created by admin on Sat Dec 16 10:06:33 GMT 2023 , Edited by admin on Sat Dec 16 10:06:33 GMT 2023

PRIMARY

PUBCHEM

10600450

Created by admin on Sat Dec 16 10:06:33 GMT 2023 , Edited by admin on Sat Dec 16 10:06:33 GMT 2023

PRIMARY

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