(R,1bR,2R,3R,4R,5aS,5bR)-3-(acetyloxy)--(2,5-dioxo-1H-pyrrol-3-yl)-4-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-1b-methyl-5-methylidene-hexahydroindeno[1,7a-b]oxiren-2-yl 2-methylpropanoate
AlkaPlorer ID: AK260187
Synonym: None
IUPAC Name: [(1aR,3R,3aR,4R,5R,6R,7aS)-5-acetyloxy-3-(2,5-dioxopyrrol-3-yl)-6-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate
Structure
SMILES: C=C1[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CC(=O)OC)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@]2(C)[C@H](C3=CC(O)=NC3=O)C[C@H]3O[C@]132
InChI: InChI=1S/C33H41NO10/c1-15(2)29(40)43-27-26(42-17(4)35)25(31(7)11-10-21(36)30(5,6)20(31)14-24(38)41-9)16(3)33-22(44-33)13-19(32(27,33)8)18-12-23(37)34-28(18)39/h10-12,15,19-20,22,25-27H,3,13-14H2,1-2,4-9H3,(H,34,37,39)/t19-,20-,22+,25+,26+,27-,31-,32+,33+/m0/s1
InChIKey: OYHDEZIALAUGQD-NBSXFKJOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Turraea pubescens | Turraea | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 611.6880000000002
TPSA？: 158.16000000000005
MolLogP？: 3.6095000000000015
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|