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

Properties

Image

Occurences in reactions

MNX_ID

MNXM33237

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₇H₃₈O₇

charge

mass

474.26175

reference

chebi:4660

InChIKey

QOSLYAARSBMQOF-NBJLYKDOSA-N

InChI

InChI=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

SMILES

CCC(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]43)[C@@H]1C2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4660 chebi:4660	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	Diterpenoid EF-D 12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate
keggC:M_C09086 seedM:M_cpd05982	secondary/obsolete/fantasy identifier