(1R,14R)-21-hydroxy-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-15-ium-15-olate

AlkaPlorer ID: AK319484

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=CC(=C(OC)C=C3CCN1C)OC1=C(O)C(OC)=CC3=C1[C@@H](C2)[N@@+](C)([O-])CC3

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InChI: InChI=1S/C37H40N2O7/c1-38-14-12-24-19-31(43-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)45-32-18-23(8-11-30(32)42-3)17-29-35-25(13-15-39(29,2)41)20-34(44-5)36(40)37(35)46-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-,39+/m1/s1

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InChIKey: AJTCZGKUKUDSJU-AXHSOIPPSA-N

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Reference

SuperNatural Ⅲ: SN0007460-01

NPASS: NPC25650

Properties Information

Molecule Weight: 624.734

TPSA: 92.68

MolLogP: 6.872000000000009

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information