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Substance Name: Withacoagin
RN: 119539-81-0
UNII: P6T7X0Q5M9
InChIKey: UYRXFMXVVKNLDH-VHXUWDKCSA-N

Molecular Formula

  • C28-H38-O5

Molecular Weight

  • 454.6032
 
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Names and Synonyms

Name of Substance

  • Withacoagin

Synonyms

  • (+)-Withacoagin
  • Ergosta-2,6,24-trien-26-oic acid, 5,20,22-trihydroxy-1-oxo-, delta-lactone, (5alpha,22R)-
  • UNII-P6T7X0Q5M9
  • Withacoagin

Registry Numbers

CAS Registry Number

  • 119539-81-0

FDA UNII

  • P6T7X0Q5M9

System Generated Number

  • 0119539810

Structure Descriptors

InChI

1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1

InChIKey

UYRXFMXVVKNLDH-VHXUWDKCSA-N

Smiles

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C=C[C@@]5([C@@]4(C(=O)C=CC5)C)O)C)O)C