Saponaceol B
AlkaPlorer ID: AK107774
Synonym: '(-)-Saponaceol B'
IUPAC Name: [(2R,3R,5R,9R,10R,12S,13S,14R,17R)-2,12-dihydroxy-17-[(2S,3R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R)-3-hydroxy-5-[[(1R,2S)-1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)[C@@H](N=C(O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)[C@H]3C[C@H](O)[C@@]4(C)[C@@H]([C@H]5CC[C@H](C(C)(C)O)O[C@@H]5O)CC[C@]4(C)C3=CC[C@H]2C1(C)C)[C@H](O)C1=CC=CC=C1
InChI: InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(49)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)58-39(26)53)44(31,6)22-30(48)38(41)59-35(51)24-43(5,56)23-34(50)47-36(40(54)57-9)37(52)25-13-11-10-12-14-25/h10-14,16,26-27,29-33,36-39,48-49,52-53,55-56H,15,17-24H2,1-9H3,(H,47,50)/t26-,27-,29+,30-,31+,32+,33-,36+,37-,38+,39+,43-,44-,45-,46-/m1/s1
InChIKey: CACFVBDUMQSPSW-BEOBFJEBSA-N
Reference
Three Novel Crustulinol Esters, Saponaceols A-C, from Tricholoma saponaceum
PubChem CID: 163103625
LOTUS: LTS0170681
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma saponaceum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 828.0530000000001
TPSA？: 215.79999999999995
MolLogP？: 5.092400000000005
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|