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3a,4a-dihydroxyclerodan-15-oic acid
SpectraBase Compound ID 5tECz9qfgk9
InChI InChI=1S/C20H36O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h13-16,21,24H,6-12H2,1-5H3,(H,22,23)/t13?,14-,15-,16-,18+,19-,20-/m1/s1
InChIKey HXWFNTAOIMPSJN-KDAJAUJNSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp6y4sFwsLi
Name 3a,4a-dihydroxyclerodan-15-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h13-16,21,24H,6-12H2,1-5H3,(H,22,23)/t13?,14-,15-,16-,18+,19-,20-/m1/s1
InChIKey HXWFNTAOIMPSJN-KDAJAUJNSA-N
Molecular Weight 340.504 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@]([C@@]([C@@](CC2)(O)[H])(O)C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0ay1-4953000000-f9c91fb3c4a8ba8e43d8
Source of Spectrum H-86-3192-9
Synonyms 5,6-Dihydroxy-decahydro-.beta.,1,2,4a,5-pentamethylnaphthalene-1-pentanoic Acid 5-[(1S,2R,4aR,5S,6R,8aR)-5,6-dihydroxy-1,2,4a,5-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoic acid
Wiley ID 1525665