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Substance Name: Cleistanthoside A
RN: 86402-39-3
InChIKey: JBVKVMLXAUHJEJ-LXOHQACASA-N

Molecular Formula

  • C34-H38-O16

Molecular Weight

  • 702.658
 
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Names and Synonyms

Results Name

  • Cleistanthoside A

Synonym

  • Cleistanthoside A

Systematic Name

  • Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-((2-O-beta-D-glucopyranosyl-3,4-di-O-methyl-beta-D-xylopyranosyl)oxy)-6,7-dimethoxy-

Registry Numbers

CAS Registry Number

  • 86402-39-3

System Generated Number

  • 0086402393

Structure Descriptors

InChI

1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)49-34-31(30(43-4)23(42-3)12-45-34)50-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3/t22-,23-,26-,27+,28-,30+,31-,33+,34+/m1/s1

InChIKey

JBVKVMLXAUHJEJ-LXOHQACASA-N

Smiles

O1C(c2c(C1)c(c1cc(c(cc1c2c1cc2OCOc2cc1)OC)OC)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](OC)[C@H](OC)CO1)=O