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1-Phenanthrenecarboxylic acid, 7-bromo-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID IsSmqvwrSXa
InChI InChI=1S/C18H23BrO3/c1-17-7-4-8-18(2,16(21)22-3)15(17)6-5-11-9-13(19)14(20)10-12(11)17/h9-10,15,20H,4-8H2,1-3H3/t15-,17-,18+/m1/s1
InChIKey BACIARSNRGOIMH-NXHRZFHOSA-N
Mol Weight 367.28 g/mol
Molecular Formula C18H23BrO3
Exact Mass 366.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Y9novID9U
Name 1-Phenanthrenecarboxylic acid, 7-bromo-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
CAS Registry Number 83109-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23BrO3
InChI InChI=1S/C18H23BrO3/c1-17-7-4-8-18(2,16(21)22-3)15(17)6-5-11-9-13(19)14(20)10-12(11)17/h9-10,15,20H,4-8H2,1-3H3/t15-,17-,18+/m1/s1
InChIKey BACIARSNRGOIMH-NXHRZFHOSA-N
Molecular Weight 367.283 g/mol
SMILES Oc1cc2[C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CCc2cc1Br)[H])C
SPLASH splash10-0006-0094000000-86142bda9d10d78bf544
Source of Spectrum B-35-834-0
Synonyms Methyl (4alpha)-13-bromo-12-hydroxypodocarpa-8,11,13-trien-15-oate Methyl ester of 13-Bromo-12-hydroxypodocarpa-8,11,13-trien-16-oic acid Methyl ester of 13-bromo-12-hydroxypodocarpa-8,11,13-trien-19-oic acid
Wiley ID 1351817