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1,4,4a,4b,5,6,10,10a-Octahydro-10a.beta-acetoxymethyl-2-methoxycarbonyl-4b.beta.,8-dimethyl-1.alpha.-vinylphenanthrene
SpectraBase Compound ID 2gh5XG1HtRm
InChI InChI=1S/C23H30O4/c1-15-7-5-13-23(3)20(15)11-9-18-17(8-6-14-27-16(2)24)19(22(25)26-4)10-12-21(18)23/h6-8,10-11,17-18,21H,5,9,12-14H2,1-4H3/b8-6+/t17-,18?,21?,23+/m1/s1
InChIKey NXMSBTVFKIZDKC-KULVUEQESA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfzPJpWVCnZ
Name 1,4,4a,4b,5,6,10,10a-Octahydro-10a.beta-acetoxymethyl-2-methoxycarbonyl-4b.beta.,8-dimethyl-1.alpha.-vinylphenanthrene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-15-7-5-13-23(3)20(15)11-9-18-17(8-6-14-27-16(2)24)19(22(25)26-4)10-12-21(18)23/h6-8,10-11,17-18,21H,5,9,12-14H2,1-4H3/b8-6+/t17-,18?,21?,23+/m1/s1
InChIKey NXMSBTVFKIZDKC-KULVUEQESA-N
Molecular Weight 370.489 g/mol
SMILES [C@]12(C(=CCC3C2CC=C(C(=O)OC)[C@@]3(\C=C\COC(=O)C)[H])C(C)=CCC1)C
SPLASH splash10-03k9-0809000000-b5b7bc0d4cdaf2fc0dc9
Source of Spectrum AJ-61-3601-61
Synonyms 1,4,4a,4b,5,6,10,10a-octahydro-10a..beta.-acetoxymethyl-2-methoxycarbonyl-4b.beta.,8-dimethyl-1.alpha.-vinylphenanthrene Methyl (1R,4bR)-1-[(1E)-3-(acetyloxy)-1-propenyl]-4b,8-dimethyl-1,4,4a,4b,5,6,10,10a-octahydro-2-phenanthrenecarboxylate
Wiley ID 1354572