3.ALPHA.-HYDROXYVERRUCARIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34O10
Molecular Weight	518.5529
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.ALPHA.-HYDROXYVERRUCARIN A

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)CC[C@@]34COC(=O)[C@@H](O)[C@H](C)CCOC(=O)\C=C\C=CC(=O)O[C@]([H])([C@H]1O)[C@@]4(C)[C@]25CO5

InChI

InChIKey=JRZWQOOOGVWBJA-OLBQPACYSA-N

InChI=1S/C27H34O10/c1-15-8-10-26-13-34-24(32)20(30)16(2)9-11-33-18(28)6-4-5-7-19(29)37-22-21(31)23(36-17(26)12-15)27(14-35-27)25(22,26)3/h4-7,12,16-17,20-23,30-31H,8-11,13-14H2,1-3H3/b6-4+,7-5-/t16-,17-,20+,21-,22-,23-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34O10
Molecular Weight	518.5529
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 12:35:25 GMT 2023` Edited by `admin` on `Sat Dec 16 12:35:25 GMT 2023`
Record UNII	W8K454LHPS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.-HYDROXYVERRUCARIN A

Common Name

English

VERRUCARIN A, 3-HYDROXY-, (3R)-

Common Name

English

Code System Code Type Description

FDA UNII

W8K454LHPS

Created by admin on Sat Dec 16 12:35:25 GMT 2023 , Edited by admin on Sat Dec 16 12:35:25 GMT 2023

PRIMARY

PUBCHEM

122706926

Created by admin on Sat Dec 16 12:35:25 GMT 2023 , Edited by admin on Sat Dec 16 12:35:25 GMT 2023

PRIMARY

CAS

84432-74-6

Created by admin on Sat Dec 16 12:35:25 GMT 2023 , Edited by admin on Sat Dec 16 12:35:25 GMT 2023

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