UNPD148252
AlkaPlorer ID: AK102073
Synonym: None
IUPAC Name: [(2S,4aR,7Z,8aS)-7-[3-(dimethylamino)propanoyloxymethylidene]-1,1,4a,8-tetramethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate
Structure
SMILES: CC1/C(=C\OC(=O)CCN(C)C)CCC2[C@H]1C(=O)CC1C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]21C
InChI: InChI=1S/C29H47NO6/c1-18-19(17-35-24(32)12-14-30(7)8)9-10-20-26(18)21(31)15-22-28(4,5)23(11-13-29(20,22)6)36-25(33)16-27(2,3)34/h17-18,20,22-23,26,34H,9-16H2,1-8H3/b19-17-/t18?,20?,22?,23-,26-,29+/m0/s1
InChIKey: XWTLZPWVWWXKPC-OBRAGAJBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum couminga | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 505.6960000000004
TPSA？: 93.14
MolLogP？: 4.515600000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|