WITHANOLIDE D

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H38O6
Molecular Weight	470.5977
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
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@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]46C

InChI

InChIKey=SASUFNRGCZMRFD-JCUIILOWSA-N

InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38O6
Molecular Weight	470.5977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:22:31 GMT 2023` Edited by `admin` on `Sat Dec 16 18:22:31 GMT 2023`
Record UNII	XY366XV8JT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WITHANOLIDE D

Common Name

English

WITHANIA SOMNIFERA

Common Name

English

5.BETA.-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6.BETA.-EPOXY-4.BETA.,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (20S,22R)-

Systematic Name

English

NSC-179841

Code

English

ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-EPOXY-4,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (4.BETA.,5.BETA.,6.BETA.,22R)-

Systematic Name

English

Code System Code Type Description

DAILYMED

XY366XV8JT