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 (2S,3S)-isoleucine Me ester, 3-Ac
AlkaPlorer ID: AK297592
Synonym: Hebelomic acid I
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-oxopentan-2-yl)amino]-3-methyl-5-oxopentanoate
Structure
SMILES: CCC(C)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(=O)OC
InChI: InChI=1S/C45H73NO12/c1-13-24(2)36(39(52)55-12)46-34(49)22-42(8,54)23-35(50)57-30-21-43(9)29-20-32(48)45(11)27(26-14-17-33(41(6,7)53)58-38(26)51)18-19-44(45,10)28(29)15-16-31(43)40(4,5)37(30)56-25(3)47/h24,26-27,30-33,36-38,48,51,53-54H,13-23H2,1-12H3,(H,46,49)
InChIKey: BXXIHFAIGFNFSU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hebeloma senescens | Hebeloma | Hymenogastraceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 820.0740000000002
TPSA？: 201.64
MolLogP？: 6.1198000000000095
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|