21,24-Epoxylanost-8-ene-2,3,12,21,25-pentol; (2α,3β,12α,21ξ,24R)-form, 3-O-(3-Hydroxy-3-methylglutaroyl), amide with α,β-didehydrophenylalanine Me ester (Z-), 2-Ac
AlkaPlorer ID: AK297590
Synonym: Saponaceol C
IUPAC Name: [2-acetyloxy-12-hydroxy-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-3-yl] 3-hydroxy-5-[(3-methoxy-3-oxo-1-phenylprop-1-en-2-yl)amino]-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)C(=CC1=CC=CC=C1)N=C(O)CC(C)(O)CC(=O)OC1C(OC(C)=O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C2CCC(C(C)(C)O)OC2O)C1(C)C(O)C3
InChI: InChI=1S/C48H69NO12/c1-27(50)59-34-24-46(7)32-23-36(51)48(9)30(29-16-19-37(44(4,5)56)60-41(29)54)20-21-47(48,8)31(32)17-18-35(46)43(2,3)40(34)61-39(53)26-45(6,57)25-38(52)49-33(42(55)58-10)22-28-14-12-11-13-15-28/h11-15,22,29-30,34-37,40-41,51,54,56-57H,16-21,23-26H2,1-10H3,(H,49,52)
InChIKey: IXOHNANPKRRVME-UHFFFAOYSA-N
Reference
Three Novel Crustulinol Esters, Saponaceols A-C, from Tricholoma saponaceum
PubChem CID: 72769905
LOTUS: LTS0166719
COCONUT: CNP0267524.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma saponaceum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 852.075
TPSA？: 201.64
MolLogP？: 6.746200000000011
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|