97877-69-5
AlkaPlorer ID: AK113038
Synonym: None
IUPAC Name: (1S,6R,8S,10S,13S,14R,15S,16S,17R,18R,23R)-16-hydroxy-8,13,17,21-tetramethylspiro[25,26-dioxa-4-azaheptacyclo[14.7.2.16,10.01,15.03,13.04,10.018,23]hexacosa-2,20-diene-14,4'-oxolane]-2',19-dione
Structure
SMILES: CC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13C=C4N5C[C@H]6C[C@H](C)C[C@]5(CC[C@@]4(C)[C@]4(COC(=O)C4)[C@H]1[C@@](O)(OC3)[C@@H]2C)O6
InChI: InChI=1S/C30H39NO6/c1-16-8-20-24(21(32)9-16)18(3)30(34)25-27(20,14-36-30)11-22-26(4,28(25)12-23(33)35-15-28)5-6-29-10-17(2)7-19(37-29)13-31(22)29/h9,11,17-20,24-25,34H,5-8,10,12-15H2,1-4H3/t17-,18+,19+,20+,24-,25-,26+,27+,28+,29-,30-/m0/s1
InChIKey: ACDRDEOVULSAPQ-WNIDGWHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 509.6430000000004
TPSA？: 85.30000000000001
MolLogP？: 3.566900000000002
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 88.0 | % | 10.1021/acs.jnatprod.9b00451 |