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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-yl acetate

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-yl acetate
SpectraBase Compound ID 7Ba6HwBb7pS
InChI InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1/i1+1
InChIKey ODSSDTBFHAYYMD-OOOGLKLJSA-N
Mol Weight 469.8 g/mol
Molecular Formula C3113CH52O2
Exact Mass 469.400086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUJxB7O8Lhs
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-yl acetate
Comments Original formula: C31[13C]H52O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1/i1+1
InChIKey ODSSDTBFHAYYMD-OOOGLKLJSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199605)7_3_136
Molecular Weight 469.758 g/mol
SMILES [13CH2]=C([C@]1([C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@@]3([C@@]2(CC[C@@](C3(C)C)(OC(C)=O)[H])C)[H])C)[H])[H])C)(CC1)C)[H])[H])C
SPLASH splash10-066r-5950200000-79260a56a432952f6fce
Source of Spectrum PA-7-239-15(GC_MS)
Wiley ID 1800187