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Substance Name: Silybin B maltoside
RN: 335299-49-5
UNII: 2M0B1J08NE
InChIKey: KRUWIRPGVLMSMV-VXNFNUGCSA-N

Molecular Formula

  • C37-H42-O20

Molecular Weight

  • 806.7188
 
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Names and Synonyms

Name of Substance

  • Silybin B maltoside

Synonym

  • UNII-2M0B1J08NE

Registry Numbers

CAS Registry Number

  • 335299-49-5

FDA UNII

  • 2M0B1J08NE

System Generated Number

  • 0335299495

Structure Descriptors

InChI

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

InChIKey

KRUWIRPGVLMSMV-VXNFNUGCSA-N

Smiles

COc1cc(ccc1O)[C@@H]2Oc3cc(ccc3O[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]6Oc7cc(O)cc(O)c7C(=O)[C@@H]6O