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(3R,3aS,5S,6S,7aR)-3a,6-Dihydroxy-3-isopropyl-7a-methyloctahydro-indene-5-carboxylic acid
SpectraBase Compound ID H1e76aWRr4P
InChI InChI=1S/C14H24O4/c1-8(2)10-4-5-13(3)7-11(15)9(12(16)17)6-14(10,13)18/h8-11,15,18H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11-,13+,14-/m0/s1
InChIKey UNDOZCDXXIMUTC-CDCRFNPESA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tY0jDOIiWF
Name (3R,3aS,5S,6S,7aR)-3a,6-Dihydroxy-3-isopropyl-7a-methyloctahydro-indene-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-8(2)10-4-5-13(3)7-11(15)9(12(16)17)6-14(10,13)18/h8-11,15,18H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11-,13+,14-/m0/s1
InChIKey UNDOZCDXXIMUTC-CDCRFNPESA-N
Molecular Weight 256.342 g/mol
SMILES OC([C@@]1([C@](C[C@@]2([C@](C1)([C@](CC2)(C(C)C)[H])O)C)(O)[H])[H])=O
SPLASH splash10-052e-9510000000-081539705ec8d188b458
Source of Spectrum QC-23-1042-3
Synonyms (3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-3-isopropyl-7a-methyloctahydro-1H-indene-5-carboxylic acid (3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-7a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-indene-5-carboxylic acid (3R,3aS,5S,6S,7aR)-7a-methyl-3a,6-bis(oxidanyl)-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-indene-5-carboxylic acid
Wiley ID 1736909