Guan-fu base Y
AlkaPlorer ID: AK024670
Synonym: 'Guanfu base I'
IUPAC Name: [(1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Structure
SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@H](O)[C@]3(O)[C@H]7N4C6
InChI: InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22-/m0/s1
InChIKey: XGTNTUKODZZCGL-FARGTZJHSA-N
Reference
A new hetisine-type diterpenoid alkaloid from <i>Aconitum coreanum</i>
PubChem CID: 97046305
LOTUS: LTS0147712
SuperNatural Ⅲ: SN0429742-12
NPASS: NPC291727
Source
Properties Information
Molecule Weight: 387.47600000000006
TPSA？: 90.23
MolLogP？: 0.4497000000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
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