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Substance Name: Cotylenin B
RN: 12708-38-2
UNII: 79E2H0Q9R3
InChIKey: OQIDAXFFANCGIE-XWJJHAMOSA-N

Molecular Formula

  • C33-H51-Cl-O11

Molecular Weight

  • 659.2079
 
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Names and Synonyms

Name of Substance

  • Cotylenin B

Synonyms

  • 7H-2,4a-Epoxy-5H-pyrano(3,4-b)-1,4-dioxin, alpha-D-xylo-hexopyranosid-4-ulose-deriv.
  • Cotylenin B
  • Dicyclopenta(a,d)cyclooctene, alpha-D-xylo-hexopyranosid-4-ulose deriv.
  • Dicyclopenta(a,d)cyclooctene-1,5-diol, 6-(((2S,3S,4aS,5R,7S,8R,8aR)-3-((1R)-2-chloro-1-hydroxyethyl)tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-7H-2,4a-epoxy-5H-pyrano(3,4-b)-1,4-dioxin-7-yl)oxy)-1,2,3,3a,4,5,6,8,9,9a-decahydro-1-(methoxymethyl)-
  • UNII-79E2H0Q9R3

Registry Numbers

CAS Registry Number

  • 12708-38-2

FDA UNII

  • 79E2H0Q9R3

System Generated Number

  • 0012708382

Structure Descriptors

InChI

1S/C33H51ClO11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,38)15-40-7)17(3)24(36)26(23(18)30)42-28-25(37)27-33(22(41-28)14-39-6)44-29(43-27)31(5,45-33)21(35)13-34/h12,16-17,19,21-22,24-29,35-38H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1

InChIKey

OQIDAXFFANCGIE-XWJJHAMOSA-N

Smiles

COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)/C/3=C/[C@@]4(C)CCC(=C24)C(C)C)[C@H](O)[C@H]5O[C@H]6O[C@@]15O[C@@]6(C)[C@@H](O)CCl