Urs-20-ene-3,16-diol, 3-tetradecanoate, (3β,16β,18α,19α)-

CAS Registry Number®

193690-82-3
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CAS Name

Urs-20-ene-3,16-diol, 3-tetradecanoate, (3β,16β,18α,19α)-

Molecular Formula

C44H76O3

Molecular Mass

653.07

Cite this Page

Urs-20-ene-3,16-diol, 3-tetradecanoate, (3β,16β,18α,19α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193690-82-3 (retrieved 2024-09-19) (CAS RN: 193690-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1

InChIKey

InChIKey=NBOLCRCNSYVBMT-JVFFPKSBSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(CCCCCCCCCCCCC)=O)CC4)[H])(CC[C@@]1([C@@]5([C@@](C)([C@@H](O)C2)CC=C(C)[C@H]5C)[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=CCC5(C)C(O)CC43C)C)C)C1(C)C)CCCCCCCCCCCCC

Other Names for this Substance

  • Urs-20-ene-3,16-diol, 3-tetradecanoate, (3β,16β,18α,19α)-
  • Faradiol 3-monomyristate
  • Faradiol 3-O-myristate
  • Faradiol 3-myristate