Crassicauline B
AlkaPlorer ID: AK007429
Synonym: None
IUPAC Name: [(2R,5R,9S,11S,15S,16R,17R,18R)-2,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
Structure
SMILES: C[C@@]12CC[C@H](C34[C@@H]1[C@@H]5[C@H](C67[C@H]3C[C@H](C([C@@H]6C4N5C2)OC(=O)C8=CC=CC=C8)C(=C)C7)O)O
InChI: InChI=1S/C27H31NO4/c1-13-11-26-16-10-15(13)20(32-24(31)14-6-4-3-5-7-14)18(26)22-27(16)17(29)8-9-25(2)12-28(22)19(21(25)27)23(26)30/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17+,18+,19+,20?,21+,22?,23+,25-,26?,27?/m0/s1
InChIKey: PVXMEZPXMNKCAW-FMGVCIMESA-N
Source
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Properties Information
Molecule Weight: 433.5480000000002
TPSA？: 70.0
MolLogP？: 2.628700000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 10
Activities Information
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