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Substance Name: Hippurin
RN: 66536-82-1
InChIKey: HRJBSUKSBJIMML-JQXFSTGHSA-N

Note

  • From gorgonian Isis hippuris.

Molecular Formula

  • C30-H48-O7

Molecular Weight

  • 520.702
 
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Names and Synonyms

Name of Substance

  • Hippurin

Synonym

  • 24-Methyl-22,25-epoxy-5alpha-furostan-2,3,11,20-tetrol 2-monoacetate

Systematic Name

  • Furostan-2,3,11,20-tetrol, 22,25-epoxy-24-methyl-, 2-acetate, (2alpha,3alpha,5alpha,11beta,22alpha,24S)-

Registry Numbers

CAS Registry Number

  • 66536-82-1

System Generated Number

  • 0066536821

Structure Descriptors

InChI

1S/C30H48O7/c1-15-12-30(37-26(15,3)4)29(7,34)25-22(36-30)11-19-18-9-8-17-10-20(32)23(35-16(2)31)14-27(17,5)24(18)21(33)13-28(19,25)6/h15,17-25,32-34H,8-14H2,1-7H3/t15-,17-,18-,19-,20-,21-,22-,23+,24+,25-,27-,28-,29+,30-/m0/s1

InChIKey

HRJBSUKSBJIMML-JQXFSTGHSA-N

Smiles

C1[C@H]([C@H](C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@]([C@H]5[C@@]4(C)C[C@@H]([C@H]3[C@@]12C)O)(C)O)C[C@@H](C(C)(C)O6)C)O)OC(C)=O