Delphinine
AlkaPlorer ID: AK001929
Synonym: '', 'Delphinine'
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]3(O)C[C@@H]4[C@@H]1[C@H]3OC(=O)C1=CC=CC=C1)N(C)C2
InChI: InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1
InChIKey: REVYTWNGZDPRKE-UWZYQZSNSA-N
Reference
Diterpenoid alkaloids from <i>Delphinium gracile</i>
PubChem CID: 441726
CAS: 561-07-9
LOTUS: LTS0199717
NPASS: NPC90224
Source
Properties Information
Molecule Weight: 599.7210000000002
TPSA？: 112.99
MolLogP？: 2.3164000000000025
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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