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3.beta.-Acetoxy-24S-methyl-9.beta.,19-cyclolanost-25-ene
SpectraBase Compound ID 6CvaHj3FDJ1
InChI InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h22-23,25-28H,1,10-20H2,2-9H3/t22-,23+,25+,26?,27-,28-,30+,31-,32+,33-/m0/s1
InChIKey XANCISIMFMVUPX-UQRYIWSHSA-N
Mol Weight 482.8 g/mol
Molecular Formula C33H54O2
Exact Mass 482.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5IrW9Ioaan
Name 3.beta.-Acetoxy-24S-methyl-9.beta.,19-cyclolanost-25-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H54O2
InChI InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h22-23,25-28H,1,10-20H2,2-9H3/t22-,23+,25+,26?,27-,28-,30+,31-,32+,33-/m0/s1
InChIKey XANCISIMFMVUPX-UQRYIWSHSA-N
Molecular Weight 482.793 g/mol
SMILES [C@]123[C@@]4(C(C(C)(C)[C@](CC4)(OC(=O)C)[H])CC[C@]3([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CC[C@@](C(=C)C)(C)[H])(C)[H])[H])C)[H])C2
SPLASH splash10-00l5-8900000000-2b390235e73be504d696
Source of Spectrum Y1-35-1115-1
Synonyms (1R,3aS,3bS,7S,9aR,10aS,12aR)-3a,6,6,12a-tetramethyl-1-[(1R,4S)-1,4,5-trimethyl-5-hexenyl]tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl acetate
Wiley ID 1526800