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(3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-15-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol

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(3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-15-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
SpectraBase Compound ID eJVVWtLJFj
InChI InChI=1S/C30H50O3/c1-17(2)18(3)9-10-19(4)22-16-26(33-8)28-27-21(11-13-30(22,28)7)29(6)14-12-24(31)20(5)23(29)15-25(27)32/h17-19,21-26,31-32H,5,9-16H2,1-4,6-8H3/t18-,19-,21+,22-,23+,24+,25-,26+,29-,30-/m1/s1
InChIKey CWRYUKLRZWGXRW-BXPUGFGSSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65pXl8tBT3r
Name (3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-15-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-17(2)18(3)9-10-19(4)22-16-26(33-8)28-27-21(11-13-30(22,28)7)29(6)14-12-24(31)20(5)23(29)15-25(27)32/h17-19,21-26,31-32H,5,9-16H2,1-4,6-8H3/t18-,19-,21+,22-,23+,24+,25-,26+,29-,30-/m1/s1
InChIKey CWRYUKLRZWGXRW-BXPUGFGSSA-N
Literature Reference Author Y.SUGO,Y.INOUYE,N.NAKAYAMA
Literature Reference Citation STEROIDS,60,738(1995)
Literature Reference DOI 10.1016/0039-128x(95)00108-3
Molecular Weight 458.725 g/mol
Source File Reference UWLU73901