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9-[(7R,8R,9S,13S,14S)-13-methyl-3-oxidanyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-7-yl]nonyl ethanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9-[(7R,8R,9S,13S,14S)-13-methyl-3-oxidanyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-7-yl]nonyl ethanoate
SpectraBase Compound ID HKoczf6UDTY
InChI InChI=1S/C29H42O4/c1-20(30)33-17-9-7-5-3-4-6-8-10-21-18-22-19-23(31)11-12-24(22)25-15-16-29(2)26(28(21)25)13-14-27(29)32/h11-12,19,21,25-26,28,31H,3-10,13-18H2,1-2H3/t21-,25-,26+,28-,29+/m1/s1
InChIKey DFMNMNIFGVFBBC-OWPRVPGMSA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RWOiDhzfJO
Name 9-[(7R,8R,9S,13S,14S)-13-Methyl-3-oxidanyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthren-7-yl]nonyl ethanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.308309828 u
Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-20(30)33-17-9-7-5-3-4-6-8-10-21-18-22-19-23(31)11-12-24(22)25-15-16-29(2)26(28(21)25)13-14-27(29)32/h11-12,19,21,25-26,28,31H,3-10,13-18H2,1-2H3/t21-,25-,26+,28-,29+/m1/s1
InChIKey DFMNMNIFGVFBBC-OWPRVPGMSA-N
Molecular Weight 454.651 g/mol
SMILES C=1(C=CC2=C(C1)C[C@]([C@]1([C@@]3(CCC([C@@]3(C)CC[C@]21[H])=O)[H])[H])(CCCCCCCCCOC(=O)C)[H])O