Scytophycin C; 6ξ-Hydroxy, 16,34-didehydro, 16α,34-epoxide

AlkaPlorer ID: AK313172

Synonym: 6-Hydroxyscytophycin B

IUPAC Name: N-[11-(16,17-dihydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl)-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide

Structure

SMILES: COC1CC(OC)C2(CO2)C(OC)CC2CC=CC(CC(O)C(O)C=C(C)C=CC(=O)OC(C(C)C(O)C(C)CCC(=O)C(C)C(OC)C(C)C=CN(C)C=O)C1C)O2

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InChI: InChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)38(53-8)24-40(55-10)45(25-57-45)39(54-9)23-34-14-12-13-33(58-34)22-37(50)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3

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InChIKey: ZTRATTIWNXCURD-UHFFFAOYSA-N

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Reference

PubChem CID: 75072273

COCONUT: CNP0108947.3

Properties Information

Molecule Weight: 836.073

TPSA: 183.05

MolLogP: 4.341700000000007

Number of H-Donors: 3

Number of H-Acceptors: 13

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information