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name Structure Reference Source Properties Activities Metabolism

(1S,2S,3S,5R,8R,9S,11S,14R,16R,17R,18R)-3,16-dihydroxy-5-methyl-12-methylidene-10-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-2-yl acetate

AlkaPlorer ID: AK168448

Synonym: None

IUPAC Name: [(1S,2S,3S,5R,8R,9S,11S,14R,16R,17R,18R)-3,16-dihydroxy-5-methyl-12-methylidene-10-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-2-yl] acetate

Structure

SMILES: C=C1C[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](OC(C)=O)[C@@]57[C@@H]2C[C@@H]1C(=O)[C@@H]3[C@H]7N4C6

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InChI: InChI=1S/C22H27NO5/c1-9-5-20-7-21(27)18-19(3)6-12(25)17(28-10(2)24)22(18)13(20)4-11(9)15(26)14(20)16(22)23(21)8-19/h11-14,16-18,25,27H,1,4-8H2,2-3H3/t11-,12-,13+,14+,16+,17+,18-,19-,20+,21+,22-/m0/s1

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InChIKey: SMKLDHHGRDTUQJ-QBOMOUJKSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aconitum coreanum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 385.46000000000015

TPSA？: 87.06999999999998

MolLogP？: 0.863

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information