Urs-20-ene-3,16-diol, 3-dodecanoate, (3β,16β,18α,19α)-
CAS Registry Number®
270078-40-5
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CAS Name
Urs-20-ene-3,16-diol, 3-dodecanoate, (3β,16β,18α,19α)-Molecular Formula
C42H72O3Molecular Mass
625.02Cite this Page
Urs-20-ene-3,16-diol, 3-dodecanoate, (3β,16β,18α,19α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=270078-40-5 (retrieved ) (CAS RN: 270078-40-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3/t30-,31-,32+,33-,34+,35+,37-,39+,40-,41-,42-/m1/s1
InChIKey
InChIKey=NKKIRZWINJADJC-GVWWBULUSA-N
SMILES
C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(CCCCCCCCCCC)=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)CCCCCCCCCCC
Other Names for this Substance
- Urs-20-ene-3,16-diol, 3-dodecanoate, (3β,16β,18α,19α)-
- Faradiol 3-monolaurate
- Faradiol 3-O-laurate
- Faradiol 3-laurate
