21,24-Epoxylanost-8-ene-2,3,12,21,25-pentol; (2α,3β,12α,21ξ,24R)-form, 2-O-(3-Hydroxy-3-methylglutaroyl)(S-), amide with (S)-valine Me ester, 3-Ac
AlkaPlorer ID: AK297594
Synonym: Hebelomic acid H
IUPAC Name: [3-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-2-yl] 3-hydroxy-5-[(1-methoxy-3-methyl-1-oxobutan-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)C1OC(C)=O)C1(C)CCC(C2CCC(C(C)(C)O)OC2O)C1(C)C(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)
InChIKey: ZEWGTXZHSMMVFZ-UHFFFAOYSA-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 |
|---|