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12,13-dihydroxytotara-8,11,13-trien-7-one
SpectraBase Compound ID 8H1ktnKv3St
InChI InChI=1S/C20H28O3/c1-11(2)16-17-12(9-14(22)18(16)23)20(5)8-6-7-19(3,4)15(20)10-13(17)21/h9,11,15,22-23H,6-8,10H2,1-5H3/t15?,20-/m1/s1
InChIKey ZFRQAKIJVKSVOT-YQYDADCPSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jsAPMcpSzB
Name 12,13-dihydroxytotara-8,11,13-trien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-11(2)16-17-12(9-14(22)18(16)23)20(5)8-6-7-19(3,4)15(20)10-13(17)21/h9,11,15,22-23H,6-8,10H2,1-5H3/t15?,20-/m1/s1
InChIKey ZFRQAKIJVKSVOT-YQYDADCPSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1c(cc2c(c1C(C)C)C(CC1C(CCC[C@]21C)(C)C)=O)O
SPLASH splash10-0159-0049000000-c8343ff0232ffb102429
Source of Spectrum B-46-1825-0
Synonyms 12,13-dihydroxy-14-isopropylpodocarpa-8,11,13-trien-7-one
Wiley ID 1317104