WITHACOAGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O5
Molecular Weight	454.5983
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])C=C[C@@]5(O)CC=CC(=O)[C@]45C

InChI

InChIKey=UYRXFMXVVKNLDH-VHXUWDKCSA-N

InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O5
Molecular Weight	454.5983
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 10:56:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:56:47 GMT 2023`
Record UNII	P6T7X0Q5M9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WITHACOAGIN

Common Name

English

(+)-WITHACOAGIN

Common Name

English

ERGOSTA-2,6,24-TRIEN-26-OIC ACID, 5,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14236709

Created by admin on Sat Dec 16 10:56:47 GMT 2023 , Edited by admin on Sat Dec 16 10:56:47 GMT 2023

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FDA UNII

P6T7X0Q5M9

Created by admin on Sat Dec 16 10:56:47 GMT 2023 , Edited by admin on Sat Dec 16 10:56:47 GMT 2023

PRIMARY

CAS

119539-81-0

Created by admin on Sat Dec 16 10:56:47 GMT 2023 , Edited by admin on Sat Dec 16 10:56:47 GMT 2023

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