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13-O-Hexanoyl-20-O-decanoyl-12-deoxyphorbol
SpectraBase Compound ID HakhnIqfg5S
InChI InChI=1S/C36H56O7/c1-7-9-11-12-13-14-16-17-29(37)42-23-26-20-27-31-33(5,6)35(31,43-30(38)18-15-10-8-2)21-25(4)36(27,41)28-19-24(3)32(39)34(28,40)22-26/h19-20,25,27-28,31,40-41H,7-18,21-23H2,1-6H3/t25-,27+,28+,31-,34-,35+,36?/m1/s1
InChIKey RCBCHVUEAABFOB-ZHLKGWQDSA-N
Mol Weight 600.8 g/mol
Molecular Formula C36H56O7
Exact Mass 600.402604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D28wjMOTN4a
Name 13-O-Hexanoyl-20-O-decanoyl-12-deoxyphorbol
Alternate Name(s) ((1aR,1bS,4aR,7aR,8R,9aS)-9a-(hexanoyloxy)-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 decanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O7
InChI InChI=1S/C36H56O7/c1-7-9-11-12-13-14-16-17-29(37)42-23-26-20-27-31-33(5,6)35(31,43-30(38)18-15-10-8-2)21-25(4)36(27,41)28-19-24(3)32(39)34(28,40)22-26/h19-20,25,27-28,31,40-41H,7-18,21-23H2,1-6H3/t25-,27+,28+,31-,34-,35+,36?/m1/s1
InChIKey RCBCHVUEAABFOB-ZHLKGWQDSA-N
Molecular Weight 600.837 g/mol
SMILES O[C@]12[C@@](C3([C@@](C=C(C2)COC(=O)CCCCCCCCC)([C@]2([C@](C2(C)C)(C[C@]3(C)[H])OC(=O)CCCCC)[H])[H])O)(C=C(C1=O)C)[H]
SPLASH splash10-01vo-9368130000-9f4817ec82b03a8b3bf1
Source of Spectrum EMC-43-279-7
Wiley ID 1735282