Stellettin B

SpectraBase Compound ID	AF3L1WED1US
InChI	InChI=1S/C30H38O4/c1-18(22-12-11-20(3)27(33)34-22)9-8-10-19(2)26-21(31)17-24-29(6)16-14-25(32)28(4,5)23(29)13-15-30(24,26)7/h8-12,23-24H,13-17H2,1-7H3/b10-8+,18-9+,26-19+/t23-,24-,29-,30-/m0/s1
InChIKey	CXOJYPVZDPNKAI-PNAQCZNYSA-N Google Search
Mol Weight	462.6 g/mol
Molecular Formula	C30H38O4
Exact Mass	462.27701 g/mol

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SpectraBase Spectrum ID	46rMUu2hmWz
Name	Stellettin B
Alternate Name(s)	(3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxo-2-pyranyl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(2E,4E)-1-methyl-5-(5-methyl-6-oxo-pyran-2-yl)hexa-2,4-dienylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxidanylidene-pyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H38O4
InChI	InChI=1S/C30H38O4/c1-18(22-12-11-20(3)27(33)34-22)9-8-10-19(2)26-21(31)17-24-29(6)16-14-25(32)28(4,5)23(29)13-15-30(24,26)7/h8-12,23-24H,13-17H2,1-7H3/b10-8+,18-9+,26-19+/t23-,24-,29-,30-/m0/s1
InChIKey	CXOJYPVZDPNKAI-PNAQCZNYSA-N
Molecular Weight	462.630 g/mol
SMILES	[C@@]12([C@]([C@]3(CCC(C([C@@]3(CC2)[H])(C)C)=O)C)(CC(\C1=C\(\C=C\C=C\(C=1OC(=O)C(=CC1)C)C)C)=O)[H])C
SPLASH	splash10-0r00-0052900000-52e2fa85082d07965df8
Source of Spectrum	G4-59-1050-6
Wiley ID	1606500