COAGULANOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O7
Molecular Weight	486.5971
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(C)C(=O)O1)[C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@]4([H])CC=C5CC=CC(=O)[C@]5(C)[C@@]4([H])CC[C@]23C

InChI

InChIKey=XAEUKOBJPRGERY-VLXOZLMASA-N

InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,30,32-34H,7,10-14H2,1-5H3/t18-,19+,21-,22+,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	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:24:22 GMT 2023` Edited by `admin` on `Sat Dec 16 18:24:22 GMT 2023`
Record UNII	4856Z555HI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULANOLIDE

Common Name

English

ERGOSTA-2,5,24-TRIEN-26-OIC ACID, 14,15,17,20,22-PENTAHYDROXY-1-OXO-, .DELTA.-LACTONE, (15.ALPHA.,17.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4856Z555HI

Created by admin on Sat Dec 16 18:24:22 GMT 2023 , Edited by admin on Sat Dec 16 18:24:22 GMT 2023

PRIMARY

PUBCHEM

44562997

Created by admin on Sat Dec 16 18:24:22 GMT 2023 , Edited by admin on Sat Dec 16 18:24:22 GMT 2023

PRIMARY

CAS

929622-96-8

Created by admin on Sat Dec 16 18:24:22 GMT 2023 , Edited by admin on Sat Dec 16 18:24:22 GMT 2023

PRIMARY

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