Indaconitine
AlkaPlorer ID: AK000597
Synonym: '', 'Indaconitine', '(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷nonadecan-4-yl benzoate', '(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷nonadecan-4-yl benzoate'
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=CC=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1
InChIKey: PHDZNMWTZQPAEW-IOZYTHHVSA-O
Reference
Norditerpenoid alkaloids from Aconitum transsectum
LOTUS: LTS0000009
SuperNatural Ⅲ: SN0285290-15
NPASS: NPC206632
Source
Properties Information
Molecule Weight: 630.7550000000003
TPSA？: 134.42000000000002
MolLogP？: 0.2602000000000084
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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