Tenuipine; (1S,1'S)-form, O7-De-Me 

AlkaPlorer ID: AK315138

Synonym: (+)-Nortenuipine

IUPAC Name: 23,28-dimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.030,34.025,36]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21,23,25(36),27,29,34-dodecaen-24-ol

Structure

SMILES: COC1=C2C=C3C(=C1)CCN(C)C3CC1=CC=C(C=C1)OC1=C3OCOC3=CC(=C1)CC1C3=C(C=C(OC)C(O)=C3O2)CCN1C

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InChI: InChI=1S/C37H38N2O7/c1-38-11-9-23-17-29(41-3)30-19-26(23)27(38)13-21-5-7-25(8-6-21)45-33-16-22(15-32-36(33)44-20-43-32)14-28-34-24(10-12-39(28)2)18-31(42-4)35(40)37(34)46-30/h5-8,15-19,27-28,40H,9-14,20H2,1-4H3

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InChIKey: MQYITJVXEOIJRY-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 622.7180000000002

TPSA: 82.09

MolLogP: 6.579500000000008

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information