Singapurensine A
AlkaPlorer ID: AK172331
Synonym: '(-)-Singapurensine A'
IUPAC Name: dimethyl (1S,2R,6R,14S,15R,16R,18S,20S)-15,20-dihydroxy-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](O)[C@]6(CC[C@]12[C@](O)(C(=O)OC)[C@@H]6O5)[C@H]43
InChI: InChI=1S/C23H26N2O7/c1-30-18(27)23(29)17-20-7-8-22(23)21(9-10-24(16(20)21)15(32-17)11-14(20)26)12-5-3-4-6-13(12)25(22)19(28)31-2/h3-6,14-17,26,29H,7-11H2,1-2H3/t14-,15-,16-,17+,20+,21+,22-,23+/m0/s1
InChIKey: SGULZRPTCAQSHB-VTZRMBNPSA-N
Source
Properties Information
Molecule Weight: 442.46800000000025
TPSA？: 108.77
MolLogP？: 0.5112999999999998
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 9
Activities Information
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