Veracevine 3-monoacetate
AlkaPlorer ID: AK006147
Synonym: None
IUPAC Name: [(2S,6S,9S,10R,12S,15S,19S,22S,23S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate
Structure
SMILES: C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C)O)C)O)O)O)(C)O
InChI: InChI=1S/C29H45NO9/c1-15-5-8-20-24(4,33)28(36)19(13-30(20)12-15)26(35)14-27-18(25(26,34)11-21(28)32)7-6-17-23(27,3)10-9-22(38-16(2)31)29(17,37)39-27/h15,17-22,32-37H,5-14H2,1-4H3/t15-,17?,18-,19-,20-,21-,22-,23-,24+,25?,26?,27?,28?,29-/m0/s1
InChIKey: VYZRUGATWIYMKD-DSJSMVBDSA-N
Source
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Properties Information
Molecule Weight: 551.6770000000004
TPSA？: 160.15
MolLogP？: 0.044900000000001716
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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