Poricoic acid H

SpectraBase Compound ID	6RvaJm6Q3OV
InChI	InChI=1S/C31H48O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey	GKXXWKRLARTIQL-SMFZDKLCSA-N Google Search
Mol Weight	500.7 g/mol
Molecular Formula	C31H48O5
Exact Mass	500.350175 g/mol

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SpectraBase Spectrum ID	LStE1gyCjyI
Name	Poricoic acid H
Alternate Name(s)	(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methyleneheptanoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrobenz[e]inden-3-yl]-5-isopropyl-hex-5-enoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylene-heptanoic acid
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Formula	C31H48O5
InChI	InChI=1S/C31H48O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey	GKXXWKRLARTIQL-SMFZDKLCSA-N
Molecular Weight	500.720 g/mol
SMILES	OC([C@@]([C@@]1([C@@]2([C@@](C[C@]1(O)[H])(C1=C(CC2)[C@]([C@@](CC1)(C(=C)C)[H])(CCC(=O)O)C)C)C)[H])(CCC(=C)C(C)C)[H])=O
SPLASH	splash10-004i-6220920000-93a217c57e7b0534f6fc
Source of Spectrum	G4-65-465-2
Wiley ID	1639396