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Lup-20(29)-ene-3,23-diol, (3.alpha.,4.alpha.)-
SpectraBase Compound ID 984AO3t4KoU
InChI InChI=1S/C30H50O2/c1-19(2)20-10-13-26(3)16-17-29(6)21(25(20)26)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+/m0/s1
InChIKey RFCPTXGFYWKJJB-UQFXLTALSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kp5WKsFuWj7
Name Lup-20(29)-ene-3,23-diol, (3.alpha.,4.alpha.)-
CAS Registry Number 32451-85-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)20-10-13-26(3)16-17-29(6)21(25(20)26)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+/m0/s1
InChIKey RFCPTXGFYWKJJB-UQFXLTALSA-N
Molecular Weight 442.728 g/mol
SMILES OC[C@@]1([C@@](CC[C@@]2([C@]3(CC[C@@]4([C@]([C@@]3(CC[C@@]12[H])C)(CC[C@]1(CC[C@]([C@@]41[H])(C(=C)C)[H])C)C)[H])[H])C)(O)[H])C
SPLASH splash10-05n3-0590600000-9c3f0d1b97048d6385a5
Source of Spectrum EP-7097-0-0
Synonyms (3alpha,4beta,13alpha,18beta)-lup-20(30)-ene-3,23-diol LUP-20(29)-ENE-3.alpha.,23-DIOL
Wiley ID 1385549