3-Hydroxy-11-oxo-12-oleanen-30-oic acid; (3β,18β)-form, 3-Ac, 28-L-leucine amide Me ester
AlkaPlorer ID: AK301719
Synonym: Dendrophen
IUPAC Name: methyl 2-[(10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl)amino]-4-methylpentanoate
Structure
SMILES: COC(=O)C(CC(C)C)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C2C1
InChI: InChI=1S/C39H61NO6/c1-23(2)20-27(32(43)45-11)40-33(44)36(7)17-16-35(6)18-19-38(9)25(26(35)22-36)21-28(42)31-37(8)14-13-30(46-24(3)41)34(4,5)29(37)12-15-39(31,38)10/h21,23,26-27,29-31H,12-20,22H2,1-11H3,(H,40,44)
InChIKey: BOLBCPQVUPFDJR-UHFFFAOYSA-N
Reference
CAS: 62486-86-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendronephthya hemprichi | Dendronephthya | Nephtheidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 639.918
TPSA？: 98.77
MolLogP？: 7.602700000000009
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|