(1S,4S,5R,6R,8R,9R,14R,15S,18S,21R,23S,26R)-26-hydroxy-4,8,12,23-tetramethylspiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,4'-oxolane]-2',7,10-trione
AlkaPlorer ID: AK123813
Synonym: None
IUPAC Name: (1S,4S,5R,6R,8R,9R,14R,15S,18S,21R,23S,26R)-26-hydroxy-4,8,12,23-tetramethylspiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,4'-oxolane]-2',7,10-trione
Structure
SMILES: CC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13CO[C@@]4([C@@H]1O)N1C[C@H]5C[C@H](C)C[C@]1(CC[C@@]4(C)[C@]1(COC(=O)C1)[C@H]3C(=O)[C@@H]2C)O5
InChI: InChI=1S/C30H39NO7/c1-15-8-19-22(20(32)9-15)17(3)23(34)24-27(11-21(33)36-13-27)26(4)5-6-28-10-16(2)7-18(38-28)12-31(28)30(26)25(35)29(19,24)14-37-30/h9,16-19,22,24-25,35H,5-8,10-14H2,1-4H3/t16-,17+,18+,19+,22-,24+,25+,26-,27+,28-,29-,30+/m0/s1
InChIKey: LGMHMTLVGJRMMB-PDSYLHCZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.6420000000004
TPSA？: 102.37
MolLogP？: 2.620700000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 81.0 | % | 10.1021/acs.jnatprod.9b00451 |