.ALPHA.-CUBEBIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20O6
Molecular Weight	356.3692
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1OC[C@H](CC2=CC3=C(OCO3)C=C2)[C@H]1CC4=CC=C5OCOC5=C4

InChI

InChIKey=DIYWRNLYKJKHAM-BXTJHSDWSA-N

InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H20O6
Molecular Weight	356.3692
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:38 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:38 GMT 2023`
Record UNII	36P4X280S1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-CUBEBIN

Common Name

English

(-)-(8R,8'R,9R)-CUBEBIN

Common Name

English

2-FURANOL, 3,4-BIS(1,3-BENZODIOXOL-5-YLMETHYL)TETRAHYDRO-, (2R,3R,4R)-

Systematic Name

English

CUBEBIN (2R,3R,4R)-ISOMER [MI]

Common Name

English

Code System Code Type Description

FDA UNII

36P4X280S1

Created by admin on Sat Dec 16 09:42:38 GMT 2023 , Edited by admin on Sat Dec 16 09:42:38 GMT 2023

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CAS

112458-74-9

Created by admin on Sat Dec 16 09:42:38 GMT 2023 , Edited by admin on Sat Dec 16 09:42:38 GMT 2023

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PUBCHEM

25021463

Created by admin on Sat Dec 16 09:42:38 GMT 2023 , Edited by admin on Sat Dec 16 09:42:38 GMT 2023

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MERCK INDEX

m3873

Created by admin on Sat Dec 16 09:42:38 GMT 2023 , Edited by admin on Sat Dec 16 09:42:38 GMT 2023

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Merck Index