WITHANOLIDE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38O5
Molecular Weight	454.5983
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
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])CC[C@]12C)[C@H](C)[C@@]6([H])CC(C)=C(C)C(=O)O6

InChI

InChIKey=ZTEVDTFJUUJBLP-MBMSZCMESA-N

InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,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	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:05:31 GMT 2023` Edited by `admin` on `Sat Dec 16 08:05:31 GMT 2023`
Record UNII	9YU877VU8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WITHANOLIDE B

Common Name

English

WITHANOLIDE B (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]

Common Name

English

(5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5-HYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE

Systematic Name

English

LYCIUM SUBSTANCE B

Common Name

English

ERGOSTA-2,24-DIEN-26-OIC ACID, 6,7-EPOXY-5,22-DIHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14236711

Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023

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EPA CompTox

DTXSID20205575

Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023

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FDA UNII

9YU877VU8K

Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023

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CAS

56973-41-2

Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023

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