Pomonic acid

CAS Registry Number®

13849-90-6
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CAS Name

Pomonic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

Pomonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13849-90-6 (retrieved 2024-06-17) (CAS RN: 13849-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KQTSQSVDAUIWJH-OOPGADJZSA-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(=O)CC5)[H])[H])([C@](C)(O)[C@H](C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 19-hydroxy-3-oxo-
  • Urs-12-en-28-oic acid, 19α-hydroxy-3-oxo-
  • 19-Hydroxy-3-oxours-12-en-28-oic acid
  • Pomonic acid
  • 3-Oxo-19α-hydroxyurs-12-en-28-oic acid

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Deleted or Replaced CAS Registry Numbers

142279-37-6

CAS INSIGHTSTM
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