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Obtusanal B [12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial]
SpectraBase Compound ID 6yDiVMEPKVW
InChI InChI=1S/C20H24O4/c1-10(2)11-6-12-14(7-15(11)22)20(5)8-13(17(12)23)18(24)19(3,4)16(20)9-21/h6-7,9-10,13,16,22H,8H2,1-5H3/t13-,16-,20+/m0/s1
InChIKey DLYLYXIDKXMSDL-ZSOFBXJNSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATeHTemUIDz
Name Obtusanal B [12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-10(2)11-6-12-14(7-15(11)22)20(5)8-13(17(12)23)18(24)19(3,4)16(20)9-21/h6-7,9-10,13,16,22H,8H2,1-5H3/t13-,16-,20+/m0/s1
InChIKey DLYLYXIDKXMSDL-ZSOFBXJNSA-N
Molecular Weight 328.408 g/mol
SMILES Oc1c(C(C)C)cc2c([C@@]3([C@](C(C)(C)C([C@@](C3)(C2=O)[H])=O)(C=O)[H])C)c1
SPLASH splash10-0uxr-1091000000-5b01f774f2b6110dda03
Source of Spectrum E2-52-766-1
Wiley ID 1556451