yunaconitine
AlkaPlorer ID: AK010857
Synonym: '', 'Vilmorrianine B', 'Guayewuanine B', '3-alpha,13-Dihydroxyforesaconitine', 'Isoaconitine', '(1alpha,3alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate', 'Yunaconitine'
IUPAC Name: None
Structure
SMILES: CC[NH+]1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)C5=CC=C(OC)C=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/p+1/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
InChIKey: LLEMSCWAKNQHHA-IWXJPZPUSA-O
Reference
Norditerpenoid alkaloids from Aconitum transsectum
LOTUS: LTS0070692
SuperNatural Ⅲ: SN0208534-12
NPASS: NPC31485
Source
Properties Information
Molecule Weight: 660.7810000000003
TPSA？: 143.65
MolLogP？: 0.2688000000000088
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
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