Azaspiracid 35

AlkaPlorer ID: AK289977

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCC(C)CC3C)C1OC(O)(C(O)C2CC3OC4(CCC5(CC=CC(CCCC(=O)O)O5)O4)C(C)CC3O2)C(C)CC1C

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InChI: InChI=1S/C46H71NO12/c1-25-17-35-40-37(23-44(57-40)29(5)16-26(2)24-47-44)55-43(21-25,54-35)22-28(4)39-27(3)18-31(7)46(51,58-39)41(50)36-20-34-33(52-36)19-30(6)45(56-34)15-14-42(59-45)13-9-11-32(53-42)10-8-12-38(48)49/h9,11,25-27,29-37,39-41,47,50-51H,4,8,10,12-24H2,1-3,5-7H3,(H,48,49)

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InChIKey: QUMXBDLGMQUKMA-UHFFFAOYSA-N

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Reference

CAS: 1636140-21-0

Properties Information

Molecule Weight: 830.069

TPSA: 163.62999999999997

MolLogP: 6.089700000000006

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information