WITHASTRAMONOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O7
Molecular Weight	486.5971
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H]4O[C@@H]4[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)[C@@]6([H])CC(C)=C(CO)C(=O)O6

InChI

InChIKey=ZYXVOZNURJLMFP-BNNRDBEOSA-N

InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,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	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:30:10 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:10 GMT 2023`
Record UNII	LGW57VCY6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WITHASTRAMONOLIDE

Common Name

English

WITHASTRAMONOLIDE (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]

Common Name

English

Code System Code Type Description

CAS

66873-31-2

Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023

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FDA UNII

LGW57VCY6K

Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023

PRIMARY

PUBCHEM

21607602

Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023

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