Cardivin D

SpectraBase Compound ID	L1d2bzGiFKo
InChI	InChI=1S/C23H34O9/c1-10(2)20(26)30-17-15-13(6)22(28)31-18(15)19(32-21(27)11(3)4)23(7,29)9-14(24)8-12(5)16(17)25/h10-12,14-15,17-19,24,29H,6,8-9H2,1-5,7H3/t12-,14-,15-,17-,18+,19-,23-/m0/s1
InChIKey	WOJZAWJFEPVGSB-CHYAZBGWSA-N Google Search
Mol Weight	454.5 g/mol
Molecular Formula	C23H34O9
Exact Mass	454.220283 g/mol

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SpectraBase Spectrum ID	BnBJTMbdbSa
Name	Cardivin D
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H34O9
InChI	InChI=1S/C23H34O9/c1-10(2)20(26)30-17-15-13(6)22(28)31-18(15)19(32-21(27)11(3)4)23(7,29)9-14(24)8-12(5)16(17)25/h10-12,14-15,17-19,24,29H,6,8-9H2,1-5,7H3/t12-,14-,15-,17-,18+,19-,23-/m0/s1
InChIKey	WOJZAWJFEPVGSB-CHYAZBGWSA-N
Molecular Weight	454.516 g/mol
SMILES	O[C@]1(C[C@@](C([C@]([C@]2([C@]([C@@]([C@](C1)(O)C)(OC(=O)C(C)C)[H])(OC(C2=C)=O)[H])[H])(OC(=O)C(C)C)[H])=O)(C)[H])[H]
SPLASH	splash10-00di-9311000000-d61d3fb06627e18dabb7
Source of Spectrum	G4-60-1201-4
Synonyms	2-Methylpropanoic acid [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methyl-1-oxopropoxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] ester [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate [(3aR,4S,6S,8S,10S,11S,11aR)-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-8,10-bis(oxidanyl)-2,5-bis(oxidanylidene)-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
Wiley ID	1606942