Sphinxolide A; 19-Me ether, 4,5-Epoxide

AlkaPlorer ID: AK313928

Synonym: Sphinxolide E

IUPAC Name: N-[11-(30-hydroxy-2,3,16,18,22,24-hexamethoxy-5,13,19,25-tetramethyl-10,28-dioxo-6,11,27-trioxatricyclo[24.3.1.05,7]triaconta-1(29),8,14,20-tetraen-12-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=CC2OC2(C)CC(OC)C(OC)C2=CC(=O)OC(C2O)C(C)C(OC)CC(OC)C=CC(C)C(OC)C1

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InChI: InChI=1S/C55H89NO16/c1-33-19-22-40(63-10)29-45(66-13)37(5)53-50(61)41(30-49(60)71-53)54(69-16)46(67-14)31-55(7)47(72-55)25-26-48(59)70-52(35(3)20-23-39(62-9)28-44(33)65-12)38(6)51(68-15)34(2)21-24-42(58)36(4)43(64-11)18-17-27-56(8)32-57/h17,19-20,22-23,25-27,30,32-40,43-47,50-54,61H,18,21,24,28-29,31H2,1-16H3

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InChIKey: IYLDETADCHBWFL-UHFFFAOYSA-N

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Reference

PubChem CID: 85131825

COCONUT: CNP0281136.2

Source

Species Genus Family Order Class Phylum Kingdom Domain
Neosiphonia superstes Neosiphonia Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota

Properties Information

Molecule Weight: 1020.308

TPSA: 196.58

MolLogP: 6.398800000000012

Number of H-Donors: 1

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information