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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK269476

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[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/C24H37NO7/c1-4-25-9-21(10-29-2)6-5-15(26)23-13-7-12-14(30-3)8-22(16(13)17(12)27)24(20(23)25,32-11-31-22)19(28)18(21)23/h12-20,26-28H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

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InChIKey: XBAIGDVXAGHZPM-FCXNFKKQSA-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: 451.5600000000002

TPSA？: 100.85000000000002

MolLogP？: -0.0174999999999975

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information