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Substance Name: Cleistanthin B
RN: 30021-77-3
InChIKey: BJGIWVGXMRUMNA-WBYCZGBQSA-N

Note

  • Toxic constituent of Cleistanthus collinus.

Molecular Formula

  • C27-H26-O12

Molecular Weight

  • 542.4904
 
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Names and Synonyms

Name of Substance

  • Cleistanthin B

Synonyms

  • 9-(1,3-Benzodioxol-5-yl)-4-(beta-D-glucopyranosyloxy)-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one
  • Clei B
  • Cleistanthin B

Systematic Name

  • Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(beta-D-glucopyranosyloxy)-6,7-dimethoxy-

Registry Numbers

CAS Registry Number

  • 30021-77-3

System Generated Number

  • 0030021773

Structure Descriptors

InChI

1S/C27H26O12/c1-33-16-6-12-13(7-17(16)34-2)25(39-27-24(31)23(30)22(29)19(8-28)38-27)14-9-35-26(32)21(14)20(12)11-3-4-15-18(5-11)37-10-36-15/h3-7,19,22-24,27-31H,8-10H2,1-2H3/t19-,22-,23+,24-,27+/m1/s1

InChIKey

BJGIWVGXMRUMNA-WBYCZGBQSA-N

Smiles

COc1cc2c(cc1OC)c(c3c(c2c4ccc5c(c4)OCO5)C(=O)OC3)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O