Sitosterol palmitate
CAS Registry Number®
2308-85-2
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CAS Name
Sitosterol palmitateMolecular Formula
C45H80O2Molecular Mass
653.12Cite this Page
Sitosterol palmitate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2308-85-2 (retrieved ) (CAS RN: 2308-85-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
88-88.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey
InChIKey=IWTJDVBNIUPPPB-FPNUYMRSSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)C)CC)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CCCCCCCCCCCCCCC)=O)CC2)[H])[H]
Canonical SMILES
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1)CCCCCCCCCCCCCCC
Other Names for this Substance
- Stigmast-5-en-3-ol, 3-hexadecanoate, (3β)-
- β-Sitosterol palmitate
- Stigmast-5-en-3β-ol, palmitate
- Stigmast-5-en-3-ol, hexadecanoate, (3β)-
- Palmitic acid, stigmast-5-en-3β-yl ester
