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24-Hydroxycycloart-25-en-3-one
SpectraBase Compound ID AKxIHJo94pS
InChI InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-24,31H,1,8-18H2,2-7H3/t20?,21-,22?,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey TXRLVQNUVQVFJG-BUIRHPIQSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42jUSl4LQG
Name 24-Hydroxycycloart-25-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-24,31H,1,8-18H2,2-7H3/t20?,21-,22?,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey TXRLVQNUVQVFJG-BUIRHPIQSA-N
Molecular Weight 440.712 g/mol
SMILES OC(C(=C)C)CCC([C@@]1([C@]2(CC[C@@]34[C@@]5([C@@](C(C)(C)C(CC5)=O)([H])CC[C@]3([C@@]2(CC1)C)[H])C4)C)[H])C
SPLASH splash10-0a4j-9102100000-daf8d196cf02ed43a749
Source of Spectrum G4-59-346-3
Synonyms (1R,3aS,3bS,5aR,9aR,10aS,12aR)-1-[(1R)-4-hydroxy-1,5-dimethyl-5-hexenyl]-3a,6,6,12a-tetramethyltetradecahydro-7H-cyclopenta[a]cyclopropa[e]phenanthren-7-one
Wiley ID 1606242