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Substance Name: 3-((3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy)-5,7-dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
RN: 113558-10-4
InChIKey: FWINXQRXURMYOG-DDRNJWBXSA-N

Note

  • Isolated from plant Epimedium wanshanense.

Molecular Formula

  • C32-H38-O15

Molecular Weight

  • 662.6372
 
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Names and Synonyms

Synonym

  • Ikarisoside B

Systematic Name

  • 3-((3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy)-5,7-dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one

Registry Numbers

CAS Registry Number

  • 113558-10-4

System Generated Number

  • 0113558104

Structure Descriptors

InChI

1S/C32H38O15/c1-12(2)4-9-16-17(35)10-18(36)20-23(39)29(27(45-28(16)20)14-5-7-15(34)8-6-14)46-32-30(25(41)21(37)13(3)43-32)47-31-26(42)24(40)22(38)19(11-33)44-31/h4-8,10,13,19,21-22,24-26,30-38,40-42H,9,11H2,1-3H3/t13-,19+,21-,22+,24-,25+,26+,30+,31-,32?/m0/s1

InChIKey

FWINXQRXURMYOG-DDRNJWBXSA-N

Smiles

C[C@@H]1OC(OC2=C(Oc3c(CC=C(C)C)c(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O