Koetjapic acid

CAS Registry Number®

142905-27-9

CAS Name

Koetjapic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

Koetjapic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142905-27-9 (retrieved 2025-01-07) (CAS RN: 142905-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    307-310 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)20-10-13-30(7)23(28(20,5)12-11-24(31)32)9-8-21-22-18-27(4,25(33)34)15-14-26(22,3)16-17-29(21,30)6/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,26+,27-,28-,29+,30+/m0/s1

InChIKey

InChIKey=ASOUKQDZWGOCBR-ICSARBIRSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC[C@@]1([C@](CCC(O)=O)(C)[C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CC=C3C4CC(C(=O)O)(C)CCC4(C)CCC32C

Other Names for this Substance

  • 1-Chrysenepropanoic acid, 9-carboxy-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9-pentamethyl-2-(1-methylethenyl)-, (1S,2S,4aR,4bS,6aS,9S,10aR,12aR)-
  • 3,4-Secooleana-4(23),12-diene-3,29-dioic acid, (20β)-
  • (1S,2S,4aR,4bS,6aS,9S,10aR,12aR)-9-Carboxy-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid
  • Koetjapic acid
  • 1-Chrysenepropanoic acid, 9-carboxy-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9-pentamethyl-2-(1-methylethenyl)-, [1S-(1α,2β,4aβ,4bα,6aβ,9β,10aβ,12aα)]-

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