Hyptadienic acid

CAS Registry Number®

128397-09-1
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CAS Name

Hyptadienic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

Hyptadienic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=128397-09-1 (retrieved 2024-05-06) (CAS RN: 128397-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-210 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-18-10-13-30(24(32)33)15-14-26(4)20(23(30)29(18,7)34)8-9-22-27(26,5)12-11-21-25(2,3)16-19(17-31)28(21,22)6/h8,16,18,21-23,31,34H,9-15,17H2,1-7H3,(H,32,33)/t18-,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1

InChIKey

InChIKey=YFLYOZWZPSYMPX-DCLYBNOZSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@]3(C)O)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)C(CO)=CC5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C(=CC(C)(C)C5CCC4(C)C3(C)CC1)CO)C

Other Names for this Substance

  • Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2′H)-carboxylic acid, 3′,4′,5′,6′-tetrahydro-3′-hydroxy-15-(hydroxymethyl)-3′,4′,9,14,17,17-hexamethyl-, (3β,3′α,4β,4′α,8α,9β,10α,13α,14β)-
  • A(1)-Norursa-2,12-dien-28-oic acid, 19-hydroxy-2-(hydroxymethyl)-
  • (3β,3′α,4β,4′α,8α,9β,10α,13α,14β)-3′,4′,5′,6′-Tetrahydro-3′-hydroxy-15-(hydroxymethyl)-3′,4′,9,14,17,17-hexamethylbenzo[3,4]-18-norandrosta-3,5,15-triene-3(2′H)-carboxylic acid
  • Hyptadienic acid
  • (+)-Hyptadienic acid

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