Singapurensine B
AlkaPlorer ID: AK180043
Synonym: '(-)-Singapurensine B'
IUPAC Name: dimethyl (1S,2R,6R,14S,15R,16R,18S,20S)-15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.01,16.02,6.03,18.06,14.07,12]docosa-7,9,11-triene-13,15-dicarboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]23CCN4[C@@H]5C[C@H](OC)[C@]6(CC[C@]12[C@](O)(C(=O)OC)[C@@H]6O5)[C@H]43
InChI: InChI=1S/C24H28N2O7/c1-30-15-12-16-25-11-10-22-13-6-4-5-7-14(13)26(20(28)32-3)23(22)9-8-21(15,17(22)25)18(33-16)24(23,29)19(27)31-2/h4-7,15-18,29H,8-12H2,1-3H3/t15-,16-,17-,18+,21+,22+,23-,24+/m0/s1
InChIKey: BRXMYFHIYLHURN-JFWWQWTCSA-N
Source
Properties Information
Molecule Weight: 456.4950000000003
TPSA？: 97.77
MolLogP？: 1.1653999999999998
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 9
Activities Information
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