Ceanothic acid

CAS Registry Number®

21302-79-4

CAS Name

Ceanothic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

Ceanothic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21302-79-4 (retrieved 2024-11-22) (CAS RN: 21302-79-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    354 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1

InChIKey

InChIKey=WLCHQSHZHFLMJH-VILVJDKQSA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@@]4(C)[C@](CC3)([C@@]5([C@@](C(O)=O)(CC4)CC[C@H]5C(C)=C)[H])[H])CC[C@]1(C(C)(C)[C@@H](O)[C@@H]2C(O)=O)[H])[H]

Canonical SMILES

O=C(O)C1C(O)C(C)(C)C2CCC3(C)C(CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43C)C12C

Other Names for this Substance

  • 3′H-Cyclopenta[3,4]-18-norandrost-3-ene-3′,13-dicarboxylic acid, tetrahydro-4′-hydroxy-4,5′,5′,9-tetramethyl-15-(1-methylethenyl)-, (3β,3′β,4α,4′α,5β,8α,9β,10α,13α,14β,15β)-
  • A(1)-Norlup-20(29)-en-28-oic acid, 2α-carboxy-3β-hydroxy-
  • Ceanothic acid
  • Emmolic acid
  • A(1),28-Dinorlup-20(29)-ene-2,17-dicarboxylic acid, 3-hydroxy-, (2α,3β)-

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CAS INSIGHTSTM
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