Sporidesmolides; Sporidesmolide I

AlkaPlorer ID: AK084300

Synonym: None

IUPAC Name: 4-methyl-3,12-bis(2-methylpropyl)-6,9,15,18-tetra(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)OC1=O

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InChI: InChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)

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InChIKey: VDFMWZBFYMHHDB-UHFFFAOYSA-N

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Reference

PubChem CID: 12442967

COCONUT: CNP0140113

Properties Information

Molecule Weight: 638.8470000000003

TPSA: 160.20999999999998

MolLogP: 2.821200000000005

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information