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24-Methylenecycloartanol
SpectraBase Compound ID AS7DaXQZpPR
InChI InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28+,29+,30-,31+/m1/s1
InChIKey BDHQMRXFDYJGII-NLEAACDFSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6SAjoQsC2u
Name 24-Methylenecycloartanol
Appearance amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28+,29+,30-,31+/m1/s1
InChIKey BDHQMRXFDYJGII-NLEAACDFSA-N
Instrument Name Kratos MS25RF
Ionization Type EI
Literature Reference DOI 10.1021/np0400048
Molecular Weight 440.756 g/mol
Optical Rotation [a]D25 = +19.8 (c = 0.10, CHCl3)
SMILES O[C@@]1(C([C@]2([C@]3(CC1)[C@]1([C@@](CC2)([C@]2([C@](CC1)(C)[C@](CC2)([C@](C)(CCC(C(C)C)=C)[H])[H])C)[H])C3)[H])(C)C)[H]
SPLASH splash10-0a4i-5228900000-10f8c4ad5e8ec654359d
Source of Spectrum G4-67-SM3-3-3
Wiley ID 1881804