Cladocoran A

SpectraBase Compound ID	4HiC6sd5Xyj
InChI	InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21-,23-,25?,26-,27?/m1/s1
InChIKey	LUZPPGGVQBQOEH-MSCRZHLHSA-N Google Search
Mol Weight	444.6 g/mol
Molecular Formula	C27H40O5
Exact Mass	444.287574 g/mol

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SpectraBase Spectrum ID	59ivTezGXhn
Name	Cladocoran A
Alternate Name(s)	(1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methyl-4-pentenyl)-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl]-1-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)ethyl acetate Acetic acid[(1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-hydroxy-5-keto-2H-furan-3-yl)ethyl]ester Acetic acid[(1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]ester [(1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]acetate [(1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl]ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H40O5
InChI	InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21-,23-,25?,26-,27?/m1/s1
InChIKey	LUZPPGGVQBQOEH-MSCRZHLHSA-N
Molecular Weight	444.612 g/mol
SMILES	OC1C([C@@](CC2(C=3[C@@]([C@@](CCCC(=C)C)(C)CCC3)([H])CC[C@]2(C)[H])C)(OC(=O)C)[H])=CC(=O)O1
SPLASH	splash10-0di0-0092000000-93dae549f07bcd28db65
Source of Spectrum	J-63-2849-1
Wiley ID	1386111