SILIBININ B DIHEMISUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H30O16
Molecular Weight	682.5817
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SILIBININ B DIHEMISUCCINATE

Structure Search

SMILES

COC1=CC(=CC=C1O)[C@@H]2OC3=CC(=CC=C3O[C@H]2COC(=O)CCC(O)=O)[C@H]4OC5=C(C(=O)[C@@H]4OC(=O)CCC(O)=O)C(O)=CC(O)=C5

InChI

InChIKey=JXTPWYSSFFOISU-CDFNSKAVSA-N

InChI=1S/C33H30O16/c1-44-21-10-15(2-4-18(21)35)31-24(14-45-27(41)8-6-25(37)38)46-20-5-3-16(11-22(20)47-31)32-33(49-28(42)9-7-26(39)40)30(43)29-19(36)12-17(34)13-23(29)48-32/h2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40)/t24-,31-,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H30O16
Molecular Weight	682.5817
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:26:06 UTC 2023` Edited by `admin` on `Sat Dec 16 00:26:06 UTC 2023`
Record UNII	FL0K16S61Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SILIBININ B DIHEMISUCCINATE

Common Name

English

SILYBIN B HEMISUCCINATE

Common Name

English

BUTANEDIOIC ACID, 1-(((2S,3S)-6-((2R,3R)-3-(3-CARBOXY-1-OXOPROPOXY)-3,4-DIHYDRO-5,7-DIHYDROXY-4-OXO-2H-1-BENZOPYRAN-2-YL)-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-1,4-BENZODIOXIN-2-YL)METHYL) ESTER

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40155205