3'-Methoxyacoforestinine
AlkaPlorer ID: AK092896
Synonym: ''
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
Structure
SMILES: CCO[C@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)C1=CC=C(OC)C(OC)=C1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@H]43
InChI: InChI=1S/C36H53NO11/c1-9-37-17-33(18-41-3)23(38)14-24(44-6)36-20-15-34(40)25(45-7)16-35(47-10-2,27(30(36)37)28(46-8)29(33)36)26(20)31(34)48-32(39)19-11-12-21(42-4)22(13-19)43-5/h11-13,20,23-31,38,40H,9-10,14-18H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1
InChIKey: YIVSWIKKWQABGU-HZKWNRCISA-N
Reference
New Norditerpenoid Alkaloids from<i>Aconitum falconeri</i>
PubChem CID: 101063437
LOTUS: LTS0049781
SuperNatural Ⅲ: SN0451614-02
NPASS: NPC134078
Source
Properties Information
Molecule Weight: 675.816
TPSA？: 134.61
MolLogP？: 2.1679000000000013
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 7
Activities Information
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