21,24-Epoxylanost-8-ene-2,3,12,21,25-pentol; (2α,3β,12α,21ξ,24R)-form, 2-O-(3-Hydroxy-3-methylglutaroyl), amide with β-hydroxyphenylalanine Me ester
AlkaPlorer ID: AK297591
Synonym: Saponaceol B
IUPAC Name: [3,12-dihydroxy-17-[2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)C(N=C(O)CC(C)(O)CC(=O)OC1CC2(C)C3=C(CCC2C(C)(C)C1O)C1(C)CCC(C2CCC(C(C)(C)O)OC2O)C1(C)C(O)C3)C(O)C1=CC=CC=C1
InChI: InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(48)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)59-39(26)53)44(31,6)22-30(38(41)52)58-35(50)24-43(5,56)23-34(49)47-36(40(54)57-9)37(51)25-13-11-10-12-14-25/h10-14,26-27,30-33,36-39,48,51-53,55-56H,15-24H2,1-9H3,(H,47,49)
InChIKey: ZRYFALPBUPDYAR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma saponaceum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 828.0530000000003
TPSA？: 215.79999999999995
MolLogP？: 5.236500000000008
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|