β-Amyrin palmitate
CAS Registry Number®
5973-06-8
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CAS Name
β-Amyrin palmitateMolecular Formula
C46H80O2Molecular Mass
665.13Cite 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 ) (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