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12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)

PropertiesImage
MNX_IDMNXM33237 Image of MNXM33237
referencechebi:4660
formulaC27H38O7
global charge0
mol weight474.594
InChIKeyQOSLYAARSBMQOF-NBJLYKDOSA-N
InChIInChI=1S/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1
SMILESCCC(C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C
MNX internals
InChI (mnx)InChI=1/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1 Image of MNXM33237
SMILES (mnx)[CH3:1][CH2:8][CH:14]([CH3:2])[C:23](=[O:30])[O:34][C@@:26]12[CH2:11][C@@H:16]([CH3:4])[C@@:27]3([OH:32])[C@@H:19]([CH:10]=[C:18]([CH2:13][O:33][C:17]([CH3:5])=[O:28])[CH2:12][C@@:25]4([OH:31])[C@H:20]3[CH:9]=[C:15]([CH3:3])[C:22]4=[O:29])[C@@H:21]1[C:24]2([CH3:6])[CH3:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4660
chebi:4660
QOSLYAARSBMQOF-NBJLYKDOSA-N 		12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate
12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate
12-deoxy-phorbol, 20-acetate-13-(2-methylbutyrate)
Diterpenoid EF-D

seed.compound:cpd05982
seedM:cpd05982
kegg.compound:C09086
keggC:C09086
QOSLYAARSBMQOF-NBJLYKDOSA-N 		Diterpenoid EF-D
12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate

keggC:M_C09086
seedM:M_cpd05982 		secondary/obsolete/fantasy identifier