Sphinxolide A; 8-Demethoxy, 19-Me ether
AlkaPlorer ID: AK313926
Synonym: Sphinxolide D
IUPAC Name: N-[11-(29-hydroxy-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide
Structure
SMILES: COC1C=CC(C)C(C(C)C(OC)C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C2O)C(C)C(OC)CC(OC)C=CC(C)C(OC)C1
InChI: InChI=1S/C54H87NO14/c1-34-18-16-20-49(58)68-53(40(7)52(67-15)36(3)23-26-45(57)38(5)46(64-12)19-17-27-55(8)33-56)37(4)22-25-42(61-9)31-47(65-13)35(2)21-24-43(62-10)32-48(66-14)39(6)54-51(60)41(30-50(59)69-54)29-44(28-34)63-11/h16-18,20-22,24-25,27,30,33,35-40,42-44,46-48,51-54,60H,19,23,26,28-29,31-32H2,1-15H3
InChIKey: LDRCIZMRSWUAMW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reidispongia coerulea | Reidispongia | Phymatellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Neosiphonia superstes | Neosiphonia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 974.283
TPSA？: 174.82
MolLogP？: 7.562700000000012
Number of H-Donors: 1
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|