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(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl-1-13C)icosahydro-1H-cyclopenta[a]chrysen-9-ol

View entire compound with spectra: 1 MS (GC)

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl-1-13C)icosahydro-1H-cyclopenta[a]chrysen-9-ol
SpectraBase Compound ID 73yP45duqoI
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1/i1+1
InChIKey MQYXUWHLBZFQQO-HOOIRWTFSA-N
Mol Weight 427.7 g/mol
Molecular Formula C2913CH50O
Exact Mass 427.389521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FCkEskbYBr
Name (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl-1-13C)icosahydro-1H-cyclopenta[a]chrysen-9-ol
Comments Original formula: C29[13C]H50O
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1/i1+1
InChIKey MQYXUWHLBZFQQO-HOOIRWTFSA-N
Molecular Weight 427.721 g/mol
SMILES O[C@]1(CC[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@@]3([C@@]2([C@](C(=[13CH2])C)(CC3)[H])[H])C)C)[H])[H])C)(C1(C)C)[H])C)[H]
SPLASH splash10-0ar9-0971400000-541a6b126aa53127a499
Source of Spectrum PA-7-239-14(DIP)
Wiley ID 1800186