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(3R,3aR,5aR,9S,11aS,13aS)-3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene

View entire compound with spectra: 1 MS (GC)

(3R,3aR,5aR,9S,11aS,13aS)-3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
SpectraBase Compound ID 9E3RMK4a5Yq
InChI InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23?,24?,25?,26+,28-,29-,30-,31+/m1/s1
InChIKey MRNPHCMRIQYRFU-WYODOESZSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1WXYDcvMNU
Name (3R,3aR,5aR,9S,11aS,13aS)-3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23?,24?,25?,26+,28-,29-,30-,31+/m1/s1
InChIKey MRNPHCMRIQYRFU-WYODOESZSA-N
Molecular Weight 440.756 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C=1C(CC2)[C@@]2([C@@](CC1)(C1[C@](CC2)([C@](CC1)(C(C)C)[H])C)C)C)C)(C)C)(OC)[H]
SPLASH splash10-0096-2791100000-3c2721662f168ffd5659
Source of Spectrum Jeremy Jacob, et al. Organic Geochemistry, V. 36, 2005, P.449-461
Wiley ID 1817476