120614-97-3
AlkaPlorer ID: AK032054
Synonym: None
IUPAC Name: N-[(E,4S,5R,9R,10R,11R)-11-[(2S,3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21R,23R,24S,25S,29S)-17,29-dihydroxy-2,3,15,21,23-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: CO[C@@H]([C@@H](C)[C@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)[C@@H](OC)C2=CC(=O)O[C@@H]([C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC
InChI: InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)45(64-11)19-17-27-55(8)32-56)36(4)22-25-40(62-9)29-44(58)34(2)21-24-41(63-10)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,58,61H,19,23,26,28-30H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,33-18+/t34-,35+,36-,37-,38-,39+,40-,41-,44-,45-,46+,47+,50-,51+,52-,53-,54-/m0/s1
InChIKey: GIEXXWAAMFTZSN-YYFPINEWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neosiphonia superstes | Neosiphonia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 990.282
TPSA？: 195.05
MolLogP？: 6.53350000000001
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|