Alphitolic acid

CAS Registry Number®

19533-92-7
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CAS Name

Alphitolic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

Alphitolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19533-92-7 (retrieved 2024-04-26) (CAS RN: 19533-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232-234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=PFCVZKFJHRCLCC-PGOIBATFSA-N

SMILES

C(O)(=O)[C@]12[C@@]([C@@]3([C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)-
  • Lup-20(29)-en-28-oic acid, 2α,3β-dihydroxy-
  • 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.
  • (2α,3β)-2,3-Dihydroxylup-20(29)-en-28-oic acid
  • Alphitolic acid

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