Urs-12-en-3-ol, hexacosanoate, (3β)-
CAS Registry Number®
307319-21-7
CAS Name
Urs-12-en-3-ol, hexacosanoate, (3β)-Molecular Formula
C56H100O2Molecular Mass
805.39Cite this Page
Urs-12-en-3-ol, hexacosanoate, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=307319-21-7 (retrieved ) (CAS RN: 307319-21-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C56H100O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-50(57)58-49-38-40-54(7)47(52(49,4)5)37-41-56(9)48(54)35-34-46-51-45(3)44(2)36-39-53(51,6)42-43-55(46,56)8/h34,44-45,47-49,51H,10-33,35-43H2,1-9H3/t44-,45+,47+,48-,49+,51+,53-,54+,55-,56-/m1/s1
InChIKey
InChIKey=FCEBVFZAUVYHIN-UUJVPBPKSA-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(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)CC5)[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC
Other Names for this Substance
- Urs-12-en-3-ol, hexacosanoate, (3β)-
- α-Amyryl hexacosanoate