WITHANOSIDE IV

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H62O15
Molecular Weight	782.9113
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@H](C)[C@@]7([H])CC(C)=C(CO)C(=O)O7

InChI

InChIKey=VUQQGHSDHGOYRH-IFUSOADVSA-N

InChI=1S/C40H62O15/c1-17-11-26(53-36(50)22(17)14-41)18(2)23-7-8-24-21-6-5-19-12-20(13-29(43)40(19,4)25(21)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H62O15
Molecular Weight	782.9113
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:10:41 GMT 2023` Edited by `admin` on `Sat Dec 16 03:10:41 GMT 2023`
Record UNII	156GUP486T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WITHANOSIDE IV

Common Name

English

WITHANOSIDE IV [USP-RS]

Common Name

English

WITHANOSIDE IV, (+)-

Common Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-1,22,27-TRIHYDROXY-, .SIGMA.-LACTONE, (1.ALPHA.,3.BETA.,22R)-

Systematic Name

English

WITHANOSIDE IV (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40746874