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(3R,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(1R)-5-methyl-1-methylol-hex-4-enyl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID AYK9sHUEIGC
InChI InChI=1S/C30H50O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3/t21-,22+,25-,26+,28+,29+,30-/m0/s1
InChIKey NOXQLVJQLGRLCH-IEDMCEMRSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D44hhbi2lhy
Name (3R,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(1R)-5-methyl-1-methylol-hex-4-enyl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3/t21-,22+,25-,26+,28+,29+,30-/m0/s1
InChIKey NOXQLVJQLGRLCH-IEDMCEMRSA-N
Literature Reference Author H.J.SU,Y.F.FANN,M.I.CHUNG,S.J.WON,C.N.LIN
Literature Reference Citation J.NAT.PROD.,63,514(2000)
Literature Reference DOI 10.1021/np990367l
Molecular Weight 442.726 g/mol
Solvent CDCl3
Source File Reference UWRU5845