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Azuleno[4,5-b]furan-2(3H)-one, 8-(benzoyloxy)-3-[(benzoyloxy)methyl]decahydro-3-hydroxy-9-methyl-6-m ethylene-, [3R-(3.alpha.,3a.alpha.,6a.alpha.,8.beta.,9.alpha.,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID FoTSkDHNx4V
InChI InChI=1S/C29H30O7/c1-17-13-14-22-25(36-28(32)29(22,33)16-34-26(30)19-9-5-3-6-10-19)24-18(2)23(15-21(17)24)35-27(31)20-11-7-4-8-12-20/h3-12,18,21-25,33H,1,13-16H2,2H3/t18-,21+,22-,23+,24+,25+,29+/m1/s1
InChIKey ARFJXBJKCVBNQH-HGJPPYHQSA-N
Mol Weight 490.55 g/mol
Molecular Formula C29H30O7
Exact Mass 490.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ts8R7m56pX
Name Azuleno[4,5-b]furan-2(3H)-one, 8-(benzoyloxy)-3-[(benzoyloxy)methyl]decahydro-3-hydroxy-9-methyl-6-m ethylene-, [3R-(3.alpha.,3a.alpha.,6a.alpha.,8.beta.,9.alpha.,9a.alpha.,9b.beta.)]-
CAS Registry Number 70894-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O7
InChI InChI=1S/C29H30O7/c1-17-13-14-22-25(36-28(32)29(22,33)16-34-26(30)19-9-5-3-6-10-19)24-18(2)23(15-21(17)24)35-27(31)20-11-7-4-8-12-20/h3-12,18,21-25,33H,1,13-16H2,2H3/t18-,21+,22-,23+,24+,25+,29+/m1/s1
InChIKey ARFJXBJKCVBNQH-HGJPPYHQSA-N
Molecular Weight 490.552 g/mol
SMILES O[C@@]1(C(O[C@]2([C@]1(CCC(=C)[C@]1([C@@]2([C@@]([C@@](OC(=O)c2ccccc2)(C1)[H])(C)[H])[H])[H])[H])[H])=O)COC(=O)c1ccccc1
SPLASH splash10-0fvr-0391000000-040d62c4bc374411e219
Source of Spectrum H-62-1293-1
Synonyms (3R,3aR,6aR,8S,9S,9aR,9bR)-3-[(benzoyloxy)methyl]-3-hydroxy-9-methyl-6-methylene-2-oxododecahydroazuleno[4,5-b]furan-8-yl benzoate 3,13-Dibenzoylcynaratriol
Wiley ID 1397274