α-Amyrin palmitate

CAS Registry Number®

22255-10-3

CAS Name

α-Amyrin palmitate

Molecular Formula

C46H80O2

Molecular Mass

665.13

Cite this Page

α-Amyrin palmitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22255-10-3 (retrieved 2024-11-22) (CAS RN: 22255-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37+,38-,39+,41+,43-,44+,45-,46-/m1/s1

InChIKey

InChIKey=BHPGRVQWTLDDQX-IBZMRETLSA-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(CCCCCCCCCCCCCCC)=O)CC5)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Urs-12-en-3-ol, 3-hexadecanoate, (3β)-
  • Urs-12-en-3β-ol, palmitate
  • Urs-12-en-3-ol, hexadecanoate, (3β)-
  • α-Amyrin palmitate
  • 3β-Palmitoyl-α-amyrin

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Deleted or Replaced CAS Registry Numbers

290299-11-5

CAS INSIGHTSTM
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