SILYBIN A MALTOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42O20
Molecular Weight	806.7174
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1O)[C@H]2OC3=CC(=CC=C3O[C@@H]2CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]6OC7=C(C(=O)[C@@H]6O)C(O)=CC(O)=C7

InChI

InChIKey=KRUWIRPGVLMSMV-ULLXSVMMSA-N

InChI=1S/C37H42O20/c1-50-19-6-13(2-4-16(19)41)33-24(12-51-36-32(49)30(47)35(23(11-39)56-36)57-37-31(48)28(45)26(43)22(10-38)55-37)52-18-5-3-14(7-20(18)53-33)34-29(46)27(44)25-17(42)8-15(40)9-21(25)54-34/h2-9,22-24,26,28-43,45-49H,10-12H2,1H3/t22-,23-,24-,26-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H42O20
Molecular Weight	806.7174
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:34:43 GMT 2023` Edited by `admin` on `Sat Dec 16 01:34:43 GMT 2023`
Record UNII	V70M7I3Y5J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SILYBIN A MALTOSIDE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 2-((2R,3R)-2-(((4-O-.ALPHA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)METHYL)-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-1,4-BENZODIOXIN-6-YL)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-, (2R,3R)-

Common Name

English

SILIBININ A MALTOSIDE

Common Name

English

Code System Code Type Description

FDA UNII

V70M7I3Y5J

Created by admin on Sat Dec 16 01:34:43 GMT 2023 , Edited by admin on Sat Dec 16 01:34:43 GMT 2023

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SMS_ID

300000005284

Created by admin on Sat Dec 16 01:34:43 GMT 2023 , Edited by admin on Sat Dec 16 01:34:43 GMT 2023

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PUBCHEM

71587941

Created by admin on Sat Dec 16 01:34:43 GMT 2023 , Edited by admin on Sat Dec 16 01:34:43 GMT 2023

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CAS

1182718-89-3

Created by admin on Sat Dec 16 01:34:43 GMT 2023 , Edited by admin on Sat Dec 16 01:34:43 GMT 2023

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