1H-3,6a-Methanocyclopent[c]oxocin, 2-heptenoic acid deriv.

SpectraBase Compound ID	9d9tUHfpycg
InChI	InChI=1S/C20H30O3/c1-13(5-4-6-15(3)19(21)22)17-8-7-16-12-23-18-11-20(16,17)10-9-14(18)2/h6,9,13,16-18H,4-5,7-8,10-12H2,1-3H3,(H,21,22)/b15-6-/t13?,16-,17-,18+,20-/m0/s1
InChIKey	MPDSWPMWTGRSJE-XVSMFJGCSA-N Google Search
Mol Weight	318.46 g/mol
Molecular Formula	C20H30O3
Exact Mass	318.219495 g/mol

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SpectraBase Spectrum ID	B2bdERRgMds
Name	1H-3,6a-Methanocyclopent[c]oxocin, 2-heptenoic acid deriv.
Alternate Name(s)	2-Heptenoic acid, 6-(3,6,7,8,9,9a-hexahydro-4-methyl-1H-3,6a-methanocyclopent[c]oxocin-7-yl)-2-methyl-, [3R-[3.alpha.,6a.alpha.,7.beta.(R*),9a.beta.]]- (2Z)-2-methyl-6-[(1R,2S,5R,8R)-9-methyl-7-oxatricyclo[6.3.1.0(1,5)]dodec-9-en-2-yl]-2-heptenoic acid 4-Methyl-11-(1-methyl-5-hydroxycarbonyl-4-hexenyl)-12-oxa-tricyclo[6.3.1(1,5).0(1,7)]dodec-3-ene
CAS Registry Number	110623-88-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H30O3
InChI	InChI=1S/C20H30O3/c1-13(5-4-6-15(3)19(21)22)17-8-7-16-12-23-18-11-20(16,17)10-9-14(18)2/h6,9,13,16-18H,4-5,7-8,10-12H2,1-3H3,(H,21,22)/b15-6-/t13?,16-,17-,18+,20-/m0/s1
InChIKey	MPDSWPMWTGRSJE-XVSMFJGCSA-N
Molecular Weight	318.457 g/mol
SMILES	OC(\C(=C/CCC([C@]1([C@]23C[C@@]([H])(OC[C@@]3(CC1)[H])C(=CC2)C)[H])C)C)=O
SPLASH	splash10-0ab9-1900000000-dbf821c68ea71b914718
Source of Spectrum	B-39-2120-23
Wiley ID	1318799