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23-Ac-tolytoxin A

AlkaPlorer ID: AK005388

Synonym: '', 'Tolytoxin 23-acetate'

IUPAC Name: [(E,2R,3R,4R,8R,9R,10S)-12-[formyl(methyl)amino]-2-[(1R,3R,4R,5S,7S,8R,9S,12E,14E,16S,17S,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-3-yl] acetate

Structure

SMILES: CO[C@H]([C@@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@H]1OC(=O)/C=C/C(C)=C/[C@H](O)[C@@H](OC)C[C@@H]2C=CC[C@H](C[C@@H](OC)[C@]3(CO3)[C@@H](OC)C[C@H](OC)[C@H]1C)O2

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InChI: InChI=1S/C48H77NO14/c1-29-17-20-44(54)63-47(34(6)46(61-35(7)51)30(2)18-19-38(52)32(4)45(59-13)31(3)21-22-49(8)28-50)33(5)40(55-9)26-43(58-12)48(27-60-48)42(57-11)25-37-16-14-15-36(62-37)24-41(56-10)39(53)23-29/h14-15,17,20-23,28,30-34,36-37,39-43,45-47,53H,16,18-19,24-27H2,1-13H3/b20-17+,22-21+,29-23+/t30-,31+,32+,33-,34-,36+,37-,39+,40+,41+,42-,43+,45-,46-,47+,48-/m1/s1

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InChIKey: XRFUHBYDYDAOID-ROUXIDQJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Philinopsis speciosa Philinopsis Aglajidae Cephalaspidea Gastropoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 892.137

TPSA？: 178.11999999999998

MolLogP？: 5.566600000000008

Number of H-Donors: 1

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information