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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 of SILYBIN B MALTOSIDE

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-VXNFNUGCSA-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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2M0B1J08NE
Record Status Validated (UNII)
Record Version