4,5,20,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1³,?.1¹³,¹?.1¹?,²³.0¹¹,³?.0²?,³?]hexatriaconta-1(31),3,5,7(36),13,15,17(35),19,21,23(34),29,32-dodecaene

AlkaPlorer ID: AK319730

Synonym: None

IUPAC Name: (11R,27R)-4,5,20,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.113,17.119,23.011,36.027,34]hexatriaconta-1(32),3(36),4,6,13(35),14,16,19(34),20,22,29(33),30-dodecaene

Structure

SMILES: COC1=CC2=C3C(=C1OC)OC1=CC=C(C=C1)C[C@@H]1C4=C(OC5=CC(=CC=C5)C[C@H]3N(C)CC2)C(OC)=C(OC)C=C4CCN1C

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InChI: InChI=1S/C38H42N2O6/c1-39-16-14-25-21-32(42-4)36(44-6)38-33(25)29(39)19-23-10-12-27(13-11-23)45-37-34-26(22-31(41-3)35(37)43-5)15-17-40(2)30(34)20-24-8-7-9-28(18-24)46-38/h7-13,18,21-22,29-30H,14-17,19-20H2,1-6H3/t29-,30-/m1/s1

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InChIKey: YQGUGZPPHKJXNZ-LOYHVIPDSA-N

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Reference

PubChem CID: 53486320

NPASS: NPC289930

Properties Information

Molecule Weight: 622.7620000000001

TPSA: 61.86000000000001

MolLogP: 7.162400000000009

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information