Urs-20-ene-3,16-diol, 3-hexadecanoate, (3β,16β,18α,19α)-
CAS Registry Number®
193690-84-5
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CAS Name
Urs-20-ene-3,16-diol, 3-hexadecanoate, (3β,16β,18α,19α)-Molecular Formula
C46H80O3Molecular Mass
681.13Cite this Page
Urs-20-ene-3,16-diol, 3-hexadecanoate, (3β,16β,18α,19α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=193690-84-5 (retrieved ) (CAS RN: 193690-84-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3/t34-,35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1
InChIKey
InChIKey=TXBRTEQRWJPSKE-FIBMEZNKSA-N
SMILES
C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(CCCCCCCCCCCCCCC)=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)CCCCCCCCCCCCCCC
Other Names for this Substance
- Urs-20-ene-3,16-diol, 3-hexadecanoate, (3β,16β,18α,19α)-
- Faradiol 3-monopalmitate
- Faradiol 3-O-palmitate
- Faradiol 3-palmitate
