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1-Phenanthrenecarboxylic acid, 7-(carboxymethylene)tetradecahydro-9-hydroxy-1,4a,8-trimethyl-10-oxo-, 1-methyl ester, [1S-(1.alpha.,4a.alpha.,4b.beta.,7E,8.beta.,8a.alpha.,9.alpha.,10a.beta.)]-
SpectraBase Compound ID 78ZJK05nMPh
InChI InChI=1S/C21H30O6/c1-11-12(10-14(22)23)6-7-13-15(11)16(24)17(25)18-20(13,2)8-5-9-21(18,3)19(26)27-4/h10-11,13,15-16,18,24H,5-9H2,1-4H3,(H,22,23)/b12-10+
InChIKey AKJOHBVQTUCYSB-ZRDIBKRKSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKJzuqznnjO
Name 1-Phenanthrenecarboxylic acid, 7-(carboxymethylene)tetradecahydro-9-hydroxy-1,4a,8-trimethyl-10-oxo-, 1-methyl ester, [1S-(1.alpha.,4a.alpha.,4b.beta.,7E,8.beta.,8a.alpha.,9.alpha.,10a.beta.)]-
Alternate Name(s) (2E)-(7-Hydroxy-15-methoxy-14-methyl-6,15-dioxopodocarpan-13-ylidene)ethanoic acid (2E)-2-(10-hydroxy-8-methoxycarbonyl-1,4b,8-trimethyl-9-oxo-1,3,4,4a,5,6,7,8a,10,10a-decahydrophenanthren-2-ylidene)acetic acid (2E)-2-(8-carbomethoxy-10-hydroxy-9-keto-1,4b,8-trimethyl-1,3,4,4a,5,6,7,8a,10,10a-decahydrophenanthren-2-ylidene)acetic acid (2E)-2-(8-methoxycarbonyl-1,4b,8-trimethyl-10-oxidanyl-9-oxidanylidene-1,3,4,4a,5,6,7,8a,10,10a-decahydrophenanthren-2-ylidene)ethanoic acid Cassminic acid Erythrosuamic acid Erythrosuaminic acid Podocarpan-16-oic acid, 13-(carboxymethylene)-7.beta.-hydroxy-14.alpha.-methyl-6-oxo-, 16-methyl ester
CAS Registry Number 32231-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-11-12(10-14(22)23)6-7-13-15(11)16(24)17(25)18-20(13,2)8-5-9-21(18,3)19(26)27-4/h10-11,13,15-16,18,24H,5-9H2,1-4H3,(H,22,23)/b12-10+
InChIKey AKJOHBVQTUCYSB-ZRDIBKRKSA-N
Molecular Weight 378.465 g/mol
SMILES OC(\C=C\1C(C2C(C(C3C(CCCC3(C2CC1)C)(C(OC)=O)C)=O)O)C)=O
SPLASH splash10-066s-4903000000-a89f5b34813004103646
Source of Spectrum K-104-3542-6
Wiley ID 1358779