Urs-12-en-3-ol, tetratriacontanoate, (3β)-

CAS Registry Number®

124693-68-1
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CAS Name

Urs-12-en-3-ol, tetratriacontanoate, (3β)-

Molecular Formula

C64H116O2

Molecular Mass

917.60

Cite this Page

Urs-12-en-3-ol, tetratriacontanoate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124693-68-1 (retrieved 2024-09-19) (CAS RN: 124693-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3/t52-,53+,55+,56-,57+,59+,61-,62+,63-,64-/m1/s1

InChIKey

InChIKey=JQGZKTFAYYVRDZ-LMYMMFPFSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Urs-12-en-3-ol, tetratriacontanoate, (3β)-
  • α-Amyrin tetratriacontanoate