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9,19-Cyclolanostan-3-ol, acetate, (3.beta.)-
SpectraBase Compound ID BsYizrwraLI
InChI InChI=1S/C32H54O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h21-22,24-27H,9-20H2,1-8H3/t22-,24-,25?,26+,27+,29-,30+,31-,32?/m1/s1
InChIKey RRIPWSLJXZPRIU-CQXBOKTHSA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCAsxtseCA3
Name 9,19-CYCLOLANOSTAN-3-OL, ACETATE, (3.BETA.)-
CAS Registry Number 4575-74-0
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 470.412380977 u
Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h21-22,24-27H,9-20H2,1-8H3/t22-,24-,25?,26+,27+,29-,30+,31-,32?/m1/s1
InChIKey RRIPWSLJXZPRIU-CQXBOKTHSA-N
Molecular Weight 470.782 g/mol
Nominal Mass 470 u
Number of Peaks 187
SMILES [C@]1(CC[C@@]23C4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C1(C)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])C)C2)(OC(=O)C)[H]
SPLASH splash10-052b-5943200000-8342c7006f86a53119cf
Source File Reference LMCM-86428-565X
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 3.BETA.ACETOXY-9,19-CYCLOLANOSTANE 1-(1,5-DIMETHYLHEXYL)-3A,6,6,12A-TETRAMETHYLTETRADECAHYDRO-1H-CYCLOPENTA[A]CYCLOPROPA[E]PHENANTHREN-7-YL ACETATE (3R,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0(1,3).0(3,8).0(12,16)]octadecan-6-yl acetate
Wiley ID 8_20547