(3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O7
Molecular Weight	406.4694
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

Structure Search

SMILES

COC1=CC(CC[C@H](O)C[C@@H](O)CCC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O

InChI

InChIKey=UEKHBUNMFZUBFK-IRXDYDNUSA-N

InChI=1S/C22H30O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h6,9-12,16-17,23-26H,4-5,7-8,13H2,1-3H3/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O7
Molecular Weight	406.4694
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 08:02:54 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:54 GMT 2025`
Record UNII	K9C656D9DL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

Systematic Name

English

3,5-Heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, [S-(R*,R*)]-

Preferred Name

English

Code System Code Type Description

PUBCHEM

126887

Created by admin on Wed Apr 02 08:02:54 GMT 2025 , Edited by admin on Wed Apr 02 08:02:54 GMT 2025

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FDA UNII

K9C656D9DL

Created by admin on Wed Apr 02 08:02:54 GMT 2025 , Edited by admin on Wed Apr 02 08:02:54 GMT 2025

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EPA CompTox

DTXSID60932712

Created by admin on Wed Apr 02 08:02:54 GMT 2025 , Edited by admin on Wed Apr 02 08:02:54 GMT 2025

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CAS

145888-84-2

Created by admin on Wed Apr 02 08:02:54 GMT 2025 , Edited by admin on Wed Apr 02 08:02:54 GMT 2025

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