(10Z,12Z,23Z,47Z)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.1³,??.1¹?,²¹.1²?,³².1³?,?³.0²,?]pentapentaconta-6,10,12,23,45,47-hexaen-27-one
AlkaPlorer ID: AK577104
Synonym: None
IUPAC Name: (10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-27-one
Structure
SMILES: C=C1CCCC2OC(CC3=CC4/C(C)=C/CC(C)CC(/C=C(\C)C(O)C5CC(O)C(O)C(CCC(O)/C=C/C(C)=C/CCC6=NCCC(C3)C64C)O5)OC(=O)CC3CC(O)C(O3)C(O)C1)CC(O)C2O
InChI: InChI=1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+
InChIKey: XZXZSKRRHGFIQS-YFHRIDBKSA-N
Reference
Spiro-prorocentrimine, a novel macrocyclic lactone from a benthic Prorocentrum sp. of Taiwan
PubChem CID: 6443358
CAS: 117120-34-0
LOTUS: LTS0219126
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum lima | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 980.2899999999998
TPSA？: 228.19
MolLogP？: 5.96720000000001
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|