Sitosterol palmitate

CAS Registry Number®

2308-85-2

CAS Name

Sitosterol palmitate

Molecular Formula

C45H80O2

Molecular Mass

653.12

Cite this Page

Sitosterol palmitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2308-85-2 (retrieved 2024-11-22) (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

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