β-Amyrin palmitate

CAS Registry Number®

5973-06-8
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CAS Name

β-Amyrin palmitate

Molecular Formula

C46H80O2

Molecular Mass

665.13

Cite this Page

β-Amyrin palmitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5973-06-8 (retrieved 2024-09-06) (CAS RN: 5973-06-8).  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)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1

InChIKey

InChIKey=VFSRKCNYYCXRGI-JWDOTDQPSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CCC(C)(C)C4)[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=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Olean-12-en-3-ol, 3-hexadecanoate, (3β)-
  • Olean-12-en-3β-ol, palmitate
  • Olean-12-en-3-ol, hexadecanoate, (3β)-
  • Palmitic acid, olean-12-en-3β-yl ester
  • β-Amyrin palmitate

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