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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK128385

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@@H]2C[C@@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@@H]3[C@]5(O)[C@H]2O)[C@@H]14

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InChI: InChI=1S/C23H35NO6/c1-4-24-10-19(2)6-5-16(25)22-14-7-12-13(28-3)8-21(23(14,27)17(12)26)20(18(22)24,9-15(19)22)29-11-30-21/h12-18,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22-,23+/m1/s1

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InChIKey: ONGBEVLXHZYLKN-YNSSLJIVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Delphinium tatsienense Delphinium Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 421.53400000000016

TPSA？: 91.62000000000002

MolLogP？: 0.5001000000000013

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information