19.alpha.-Acetoxy-18-chloro-15,16-epoxy-4.alpha.,7.alpha.-dihydroxy-6-oxo-neocleroda-13(16),14-diene - 20,12-Hemiacetal - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	9GcC174qhRr
InChI	InChI=1S/C22H29ClO8/c1-12-17(25)18(26)22(11-30-13(2)24)16(4-3-6-20(22,28)10-23)21(12)8-15(31-19(21)27)14-5-7-29-9-14/h5,7,9,12,15-17,19,25,27-28H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,19+,20+,21-,22+/m1/s1
InChIKey	VNIGQWQAEIYFQT-KLHOLMHXSA-N Google Search
Mol Weight	456.92 g/mol
Molecular Formula	C22H29ClO8
Exact Mass	456.155096 g/mol

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SpectraBase Spectrum ID	7byX84m0LLN
Name	19.alpha.-Acetoxy-18-chloro-15,16-epoxy-4.alpha.,7.alpha.-dihydroxy-6-oxo-neocleroda-13(16),14-diene - 20,12-Hemiacetal
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H29ClO8
InChI	InChI=1S/C22H29ClO8/c1-12-17(25)18(26)22(11-30-13(2)24)16(4-3-6-20(22,28)10-23)21(12)8-15(31-19(21)27)14-5-7-29-9-14/h5,7,9,12,15-17,19,25,27-28H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,19+,20+,21-,22+/m1/s1
InChIKey	VNIGQWQAEIYFQT-KLHOLMHXSA-N
Molecular Weight	456.919 g/mol
SMILES	O[C@@]1(C([C@]2([C@@](CCC[C@@]2([C@@]2([C@@]1(C)[H])[C@](O[C@@](C2)(c1cocc1)[H])(O)[H])[H])(O)CCl)COC(=O)C)=O)[H]
SPLASH	splash10-0006-9101000000-e05eaa15c87dc50b3f0a
Source of Spectrum	G4-59-371-5
Synonyms	Acetic acid [(2'S,4R,4aS,5'S,6S,7S,8S,8aR)-4-(chloromethyl)-5'-(3-furanyl)-2',4,6-trihydroxy-7-methyl-5-oxo-4a-spiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]yl]methyl ester [(2'S,4R,4aS,5'S,6S,7S,8S,8aR)-4-(chloromethyl)-5'-(furan-3-yl)-2',4,6-trihydroxy-7-methyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate [(1S,2S,2'S,3S,4aS,5R,5'S,8aR)-5-(chloromethyl)-5'-(3-furyl)-2',3,5-trihydroxy-2-methyl-4-oxo-spiro[decalin-1,3'-tetrahydrofuran]-4a-yl]methyl acetate [(2'S,4R,4aS,5'S,6S,7S,8S,8aR)-4-(chloromethyl)-5'-(furan-3-yl)-7-methyl-2',4,6-tris(oxidanyl)-5-oxidanylidene-spiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl ethanoate
Wiley ID	1606232