(2R,3aS,5aR,5bS,9R,13S,14R,16aS,16bR)-9-[(1E,3S)-3-hydroxybut-1-en-1-yl]-14-methyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16bH
AlkaPlorer ID: AK207990
Synonym: None
IUPAC Name: (1S,2R,5S,7R,9R,10S,14R,15S,19R)-19-[(E,3S)-3-hydroxybut-1-enyl]-14-methyl-15-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Structure
SMILES: CN[C@H]1CC[C@H](O[C@H]2CCC[C@H](/C=C/[C@H](C)O)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C[C@@H]3C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]43)C(=O)[C@@H]2C)O[C@@H]1C
InChI: InChI=1S/C42H65NO11/c1-22(44)12-14-27-10-9-11-35(54-37-17-16-34(43-5)24(3)50-37)23(2)38(46)33-20-31-29(32(33)21-36(45)52-27)15-13-26-18-28(19-30(26)31)53-42-41(49-8)40(48-7)39(47-6)25(4)51-42/h12-15,20,22-32,34-35,37,39-44H,9-11,16-19,21H2,1-8H3/b14-12+/t22-,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,34-,35-,37-,39-,40+,41+,42-/m0/s1
InChIKey: MDSBZXIIZHVTCB-OCZAWTHYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora pogona | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 759.9780000000002
TPSA？: 140.24
MolLogP？: 4.672200000000005
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|