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1.alpha.-hydroxy-4.alpha.H-1,2,3,4-tetrahydrocadalen-15-oic acid
SpectraBase Compound ID 5vg35xiLmVb
InChI InChI=1S/C15H20O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)/t11-,15+/m0/s1
InChIKey WOURYSLHFFSMAH-XHDPSFHLSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXi11OYAR41
Name 1.alpha.-hydroxy-4.alpha.H-1,2,3,4-tetrahydrocadalen-15-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)/t11-,15+/m0/s1
InChIKey WOURYSLHFFSMAH-XHDPSFHLSA-N
Instrument Name JEOL JMS-AX 505 HA
Ionization Type EI
Literature Reference DOI 10.1021/np0005107
Molecular Weight 248.322 g/mol
Optical Rotation [a]D25 = +21 (c = 0.2, MeOH)
SMILES OC(c1ccc2[C@](CC[C@](c2c1)(C(C)C)[H])(C)O)=O
SPLASH splash10-0016-0920000000-57d0926bf64c78bd654e
Source of Spectrum G4-64-863-7
Thin-Layer Chromatography Rf = 0.36 (n-hexanes/EtOAc, 7:3
Wiley ID 1883220