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(8S,9S,10R,13R,14S,17R)-4'-(chloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]

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(8S,9S,10R,13R,14S,17R)-4'-(chloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
SpectraBase Compound ID Ks4VDPMbOU6
InChI InChI=1S/C30H49ClO2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-30(32-19-23(18-31)33-30)16-15-28(22,4)27(24)13-14-29(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3/t21-,23?,24+,25-,26+,27+,28+,29-,30?/m1/s1
InChIKey KQGTZOKRMVSQTF-CNEGSWEYSA-N
Mol Weight 477.2 g/mol
Molecular Formula C30H49ClO2
Exact Mass 476.342109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PAu30VG6Ke
Name (8S,9S,10R,13R,14S,17R)-4'-(Chloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthrene-3,2'-1,3-dioxolane]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.342108516 u
Formula C30H49ClO2
InChI InChI=1S/C30H49ClO2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-30(32-19-23(18-31)33-30)16-15-28(22,4)27(24)13-14-29(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3/t21-,23?,24+,25-,26+,27+,28+,29-,30?/m1/s1
InChIKey KQGTZOKRMVSQTF-CNEGSWEYSA-N
Molecular Weight 477.173 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC2(OC(CCl)CO2)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C