Stellettin C

SpectraBase Compound ID	3L55838LvdB
InChI	InChI=1S/C32H42O5/c1-19(24-13-12-21(3)29(35)37-24)10-9-11-20(2)28-23(34)18-26-31(7)17-15-27(36-22(4)33)30(5,6)25(31)14-16-32(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,19-10+,28-20-/t25-,26-,27-,31-,32-/m0/s1
InChIKey	FXUTZQWZMMBKRZ-GGFYILIVSA-N Google Search
Mol Weight	506.7 g/mol
Molecular Formula	C32H42O5
Exact Mass	506.303224 g/mol

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SpectraBase Spectrum ID	6hxtuQkCIep
Name	Stellettin C
Alternate Name(s)	Acetic acid [(3E,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxo-2-pyranyl)hepta-3,5-dien-2-ylidene]-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] ester [(3E,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate [(3E,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(2E,4E)-1-methyl-5-(5-methyl-6-oxo-pyran-2-yl)hexa-2,4-dienylidene]-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate [(3E,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxidanylidene-pyran-2-yl)hepta-3,5-dien-2-ylidene]-2-oxidanylidene-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] ethanoate
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Formula	C32H42O5
InChI	InChI=1S/C32H42O5/c1-19(24-13-12-21(3)29(35)37-24)10-9-11-20(2)28-23(34)18-26-31(7)17-15-27(36-22(4)33)30(5,6)25(31)14-16-32(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,19-10+,28-20-/t25-,26-,27-,31-,32-/m0/s1
InChIKey	FXUTZQWZMMBKRZ-GGFYILIVSA-N
Molecular Weight	506.683 g/mol
SMILES	[C@@]12([C@]([C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(OC(=O)C)[H])C)(CC(\C1=C/(\C=C\C=C\(C=1OC(=O)C(=CC1)C)C)C)=O)[H])C
SPLASH	splash10-0a4i-0090160000-d6bda62be2d6080db242
Source of Spectrum	G4-59-1050-1
Wiley ID	1606503