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Substance Name: Minnelide free acid
RN: 1254885-39-6
UNII: 15OP6DI2OA
InChIKey: QROUIGQWVUTWFM-RWBWCDHPSA-N

Molecular Formula

  • C21-H27-O10-P

Molecular Weight

  • 470.4068
 
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Names and Synonyms

Name of Substance

  • Minnelide free acid

Synonyms

  • Minnelide free acid
  • Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-C)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-8b-methyl-6a-(1-methylethyl)-6-((phosphonooxy)methoxy)-, (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-
  • UNII-15OP6DI2OA

Registry Numbers

CAS Registry Number

  • 1254885-39-6

FDA UNII

  • 15OP6DI2OA

System Generated Number

  • 1254885396

Structure Descriptors

InChI

1S/C21H27O10P/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25)/t12-,13-,14-,15-,17+,18-,19-,20+,21+/m0/s1

InChIKey

QROUIGQWVUTWFM-RWBWCDHPSA-N

Smiles

CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OCOP(=O)(O)O