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24-METHYLENE-3.BETA.-ACETOXY-9,19-CYCLOLANOSTANE
SpectraBase Compound ID HPny3IupFXe
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/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23-,25-,26?,27+,28+,30-,31+,32-,33?/m1/s1
InChIKey BYIMYSSYXBYIBJ-HWTXIDIMSA-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 2uxH2zWbc3L
Name 24-METHYLENE-3.BETA.-ACETOXY-9,19-CYCLOLANOSTANE
CAS Registry Number 1259-94-5
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 482.412380977 u
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/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23-,25-,26?,27+,28+,30-,31+,32-,33?/m1/s1
InChIKey BYIMYSSYXBYIBJ-HWTXIDIMSA-N
Molecular Weight 482.793 g/mol
Nominal Mass 482 u
Number of Peaks 215
SMILES [C@]1(CC[C@@]23C4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C1(C)C)[H])C)([C@@](CCC(C(C)C)=C)(C)[H])[H])C)C2)(OC(=O)C)[H]
SPLASH splash10-0a4i-5931200000-cc454f1f752b4899da09
Source File Reference LMCM-98150-262V
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 1-(4-ISOPROPYL-1-METHYL-4-PENTENYL)-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-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0(1,3).0(3,8).0(12,16)]octadecan-6-yl acetate
Wiley ID 8_20540