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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK270107

Synonym: None

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

Structure

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

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InChI: InChI=1S/C25H39NO6/c1-5-26-11-22(12-28-2)7-6-18(30-4)25-15-8-14-16(29-3)9-23(19(15)20(14)27)24(21(25)26,10-17(22)25)32-13-31-23/h14-21,27H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20+,21-,22+,23-,24-,25-/m1/s1

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InChIKey: KCADVYBIMAMDCT-XKVAZESUSA-N

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Source

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

Properties Information

Molecule Weight: 449.58800000000025

TPSA？: 69.62000000000002

MolLogP？: 1.6658000000000013

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information