SECOISOLARICIRESINOL DIGLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H46O16
Molecular Weight	686.698
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SECOISOLARICIRESINOL DIGLUCOSIDE

Structure Search

SMILES

COC1=CC(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC4=CC=C(O)C(OC)=C4)=CC=C1O

InChI

InChIKey=SBVBJPHMDABKJV-PGCJWIIOSA-N

InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H46O16
Molecular Weight	686.698
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:57 UTC 2023` Edited by `admin` on `Sat Dec 16 10:47:57 UTC 2023`
Record UNII	T9281L29MV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECOISOLARICIRESINOL DIGLUCOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (2R,3R)-2,3-BIS((4-HYDROXY-3-METHOXYPHENYL)METHYL)-1,4-BUTANEDIYL BIS-

Systematic Name

English

(R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE

Common Name

English

(2R,3R)-2,3-BIS((4-HYDROXY-3-METHOXYPHENYL)METHYL)-1,4-BUTANEDIYL BIS-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40432760