β-Sitosterol oleate

CAS Registry Number®

3712-16-1

CAS Name

β-Sitosterol oleate

Molecular Formula

C47H82O2

Molecular Mass

679.15

Cite this Page

β-Sitosterol oleate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3712-16-1 (retrieved 2024-09-28) (CAS RN: 3712-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    52 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h16-17,27,36-38,40-44H,8-15,18-26,28-35H2,1-7H3/b17-16-/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChIKey

InChIKey=YVDXIVLWTCSVDW-JXMNSIJESA-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(CCCCCCC/C=C\CCCCCCCC)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • Stigmast-5-en-3-ol, (9Z)-9-octadecenoate, (3β)-
  • β-Sitosterol oleate
  • Stigmast-5-en-3β-ol, oleate
  • Stigmast-5-en-3-ol, 9-octadecenoate, [3β(Z)]-
  • β-Sitosteryl oleate

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Deleted or Replaced CAS Registry Numbers

866412-77-3

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