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3.beta.,19.beta.-Dihydroxy-20,29,30-tri-nor-lupan-28,19-olide
SpectraBase Compound ID 199apAZRFTL
InChI InChI=1S/C27H42O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-21,28H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,24-,25+,26+,27-/m0/s1
InChIKey DUENBZLSJKSMFL-QNMYVVRISA-N
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bxTvJlfBW5
Name 3.beta.,19.beta.-Dihydroxy-20,29,30-tri-nor-lupan-28,19-olide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O3
InChI InChI=1S/C27H42O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-21,28H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,24-,25+,26+,27-/m0/s1
InChIKey DUENBZLSJKSMFL-QNMYVVRISA-N
Molecular Weight 414.630 g/mol
SMILES O[C@@]1(C([C@@]2(CC[C@]3([C@]4([C@]([C@@]5([C@@]6(OC([C@]5(CC4)CC6)=O)[H])[H])(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])(C)C)[H]
SPLASH splash10-000b-0409000000-9534120daba95a35af40
Source of Spectrum D8-329-448-1
Synonyms (1R,4R,5R,8R,10S,13R,14R,17S,18S,19R)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.0(1,18).0(4,17).0(5,14).0(8,13)]tricosan-21-one
Wiley ID 1516298