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15-ALPHA-HYDROXY-FRIEDELIN-1-ONE
SpectraBase Compound ID BsrCyCPYBos
InChI InChI=1S/C30H48O3/c1-18-19(31)15-20(32)24-27(18,5)10-9-21-28(24,6)13-14-29(7)22-16-25(2,3)11-12-26(22,4)17-23(33)30(21,29)8/h18,21-24,33H,9-17H2,1-8H3/t18-,21-,22+,23-,24+,26+,27+,28+,29-,30-/m0/s1
InChIKey JMJLXUCPYDJBBI-BBWAEWGCSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dWPTwi9fVr
Name 15.alpha.-Hydroxy-Friedelane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18-19(31)15-20(32)24-27(18,5)10-9-21-28(24,6)13-14-29(7)22-16-25(2,3)11-12-26(22,4)17-23(33)30(21,29)8/h18,21-24,33H,9-17H2,1-8H3/t18-,21-,22+,23-,24+,26+,27+,28+,29-,30-/m0/s1
InChIKey JMJLXUCPYDJBBI-BBWAEWGCSA-N
Molecular Weight 456.711 g/mol
SMILES O[C@@]1([C@]2([C@]([C@]3([C@@](C1)(CCC(C3)(C)C)C)[H])(CC[C@]1([C@]3([C@]([C@@](C)(C(CC3=O)=O)[H])(C)CC[C@]21[H])[H])C)C)C)[H]
SPLASH splash10-02ta-9231400000-61c34fa7f1a5fd01ec50
Source of Spectrum X2-55-1629-5
Synonyms (4R,4aR,6aS,6bR,7S,8aR,12aR,12bS,14aR,14bS)-7-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethyloctadecahydro-1,3(2H,4H)-picenedione
Wiley ID 1604677