Dihydroclusin, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O7
Molecular Weight	404.4535
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(C[C@H](CO)[C@@H](CO)CC2=CC=C3OCOC3=C2)=CC(OC)=C1OC

InChI

InChIKey=FDHFWHRGVDRJIK-IAGOWNOFSA-N

InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O7
Molecular Weight	404.4535
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:24:29 GMT 2025` Edited by `admin` on `Wed Apr 02 14:24:29 GMT 2025`
Record UNII	B9JK39QJU2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-332041

Preferred Name

English

Dihydroclusin, (+)-

Common Name

English

(+)-Dihydroclusin

Common Name

English

(2S,3S)-2-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,4-butanediol

Systematic Name

English

1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, [S-(R*,R*)]-

Systematic Name

English

1,4-Butanediol, 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-, (2S,3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

B9JK39QJU2

Created by admin on Wed Apr 02 14:24:29 GMT 2025 , Edited by admin on Wed Apr 02 14:24:29 GMT 2025

PRIMARY

CAS

72627-53-3

Created by admin on Wed Apr 02 14:24:29 GMT 2025 , Edited by admin on Wed Apr 02 14:24:29 GMT 2025

PRIMARY

PUBCHEM

332805

Created by admin on Wed Apr 02 14:24:29 GMT 2025 , Edited by admin on Wed Apr 02 14:24:29 GMT 2025

PRIMARY

Related Record Type Details


					JZY8N27PKT

Dihydroclusin, (-)-

ENANTIOMER -> ENANTIOMER

Amount: