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(5R,10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid[2-(1,3-dicyclo

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(5R,10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid[2-(1,3-dicyclo
SpectraBase Compound ID Gt6yWUg73G1
InChI InChI=1S/C36H57N3O3/c1-24(33(41)39(27-15-8-5-9-16-27)34(42)38-26-13-6-4-7-14-26)37-32(40)31-20-19-29-28-18-17-25-12-10-11-22-35(25,2)30(28)21-23-36(29,31)3/h20,24-30H,4-19,21-23H2,1-3H3,(H,37,40)(H,38,42)/t24?,25-,28?,29?,30?,35+,36+/m1/s1
InChIKey MZGKGHIDVIFADR-GNGUDSIKSA-N
Mol Weight 579.9 g/mol
Molecular Formula C36H57N3O3
Exact Mass 579.439993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oEytgIHUGx
Name (5R,10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid[2-(1,3-dicyclo
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.439992704 u
Formula C36H57N3O3
InChI InChI=1S/C36H57N3O3/c1-24(33(41)39(27-15-8-5-9-16-27)34(42)38-26-13-6-4-7-14-26)37-32(40)31-20-19-29-28-18-17-25-12-10-11-22-35(25,2)30(28)21-23-36(29,31)3/h20,24-30H,4-19,21-23H2,1-3H3,(H,37,40)(H,38,42)/t24?,25-,28?,29?,30?,35+,36+/m1/s1
InChIKey MZGKGHIDVIFADR-GNGUDSIKSA-N
Molecular Weight 579.870 g/mol
SMILES C(N(C(C(NC(C=1[C@@]2(C(C3CC[C@@]4([C@](C3CC2)(C)CCCC4)[H])CC1)C)=O)C)=O)C1CCCCC1)(NC1CCCCC1)=O