Hebelomic acid H
AlkaPlorer ID: AK106607
Synonym: None
IUPAC Name: [(2R,3R,5R,10S,12S,13R,14S,17R)-3-acetyloxy-12-hydroxy-17-[(2S,3R,6R)-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] (3S)-3-hydroxy-5-[[(2S)-1-methoxy-3-methyl-1-oxobutan-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]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1OC(C)=O)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3)C(C)C
InChI: InChI=1S/C44H71NO12/c1-23(2)35(38(51)54-12)45-33(48)21-41(8,53)22-34(49)56-29-20-42(9)28-19-31(47)44(11)26(25-13-16-32(40(6,7)52)57-37(25)50)17-18-43(44,10)27(28)14-15-30(42)39(4,5)36(29)55-24(3)46/h23,25-26,29-32,35-37,47,50,52-53H,13-22H2,1-12H3,(H,45,48)/t25-,26-,29-,30+,31+,32-,35+,36+,37+,41+,42-,43+,44+/m1/s1
InChIKey: ZEWGTXZHSMMVFZ-GRZHMXFASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hebeloma senescens | Hebeloma | Hymenogastraceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 806.0470000000003
TPSA？: 201.64
MolLogP？: 5.729700000000007
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|