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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-19,21-diol

AlkaPlorer ID: AK198257

Synonym: None

IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-19,21-diol

Structure

SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)[C@H]23)[C@@H]14

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InChI: InChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(26)23-13-8-12-14(28-3)9-22(16(13)17(12)29-4)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

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InChIKey: JWYGKHOGGNGGGY-FCXNFKKQSA-N

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Source

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

Properties Information

Molecule Weight: 435.56100000000026

TPSA？: 80.62000000000002

MolLogP？: 1.010100000000001

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information