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13-O-Acetyl-20-O-p-methoxybenzoyl-12-deoxyphorbol
SpectraBase Compound ID 9XWSG1lm4Vc
InChI InChI=1S/C30H36O8/c1-16-11-23-28(34,25(16)32)14-19(15-37-26(33)20-7-9-21(36-6)10-8-20)12-22-24-27(4,5)29(24,38-18(3)31)13-17(2)30(22,23)35/h7-12,17,22-24,34-35H,13-15H2,1-6H3/t17-,22+,23+,24-,28-,29+,30?/m1/s1
InChIKey VZTYCOZKQWHNRH-IRERRTMKSA-N
Mol Weight 524.6 g/mol
Molecular Formula C30H36O8
Exact Mass 524.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EAZ2RLv4Ch
Name 13-O-Acetyl-20-O-p-methoxybenzoyl-12-deoxyphorbol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O8
InChI InChI=1S/C30H36O8/c1-16-11-23-28(34,25(16)32)14-19(15-37-26(33)20-7-9-21(36-6)10-8-20)12-22-24-27(4,5)29(24,38-18(3)31)13-17(2)30(22,23)35/h7-12,17,22-24,34-35H,13-15H2,1-6H3/t17-,22+,23+,24-,28-,29+,30?/m1/s1
InChIKey VZTYCOZKQWHNRH-IRERRTMKSA-N
Molecular Weight 524.610 g/mol
SMILES O[C@]12[C@@](C3([C@@](C=C(C2)COC(c2ccc(cc2)OC)=O)([C@]2([C@](C2(C)C)(C[C@]3(C)[H])OC(=O)C)[H])[H])O)(C=C(C1=O)C)[H]
SPLASH splash10-000l-2942210000-03b79b581779a9c1dd72
Source of Spectrum EMC-43-279-2
Synonyms ((1aR,1bS,4aR,7aR,8R,9aS)-9a-acetoxy-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl)methyl 4-methoxybenzoate
Wiley ID 1735287