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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl (2R)-2-methylbutanoate

AlkaPlorer ID: AK049036

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (2R)-2-methylbutanoate

Structure

SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@H]2[C@@]4(COC)CC[C@H](OC)[C@@]32[C@@H]1N(CC)C4

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InChI: InChI=1S/C30H49NO8/c1-8-16(3)25(32)39-22-17-12-18-21(22)28(33,13-19(17)36-5)30(34)24(38-7)23-27(15-35-4)11-10-20(37-6)29(18,23)26(30)31(9-2)14-27/h16-24,26,33-34H,8-15H2,1-7H3/t16-,17-,18-,19+,20+,21-,22+,23-,24+,26+,27+,28-,29+,30-/m1/s1

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InChIKey: CKXXSHYXJATMHS-SVXRXYFPSA-N

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Source

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

Properties Information

Molecule Weight: 551.7210000000002

TPSA？: 106.92000000000002

MolLogP？: 1.868000000000002

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information