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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK260968

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C36H48N2O9/c1-6-37-17-33(18-47-31(41)21-9-7-8-10-23(21)38-25(39)15-19(2)30(38)40)13-12-24(44-3)35-22-16-20-11-14-34(42,26(22)27(20)45-4)36(43,32(35)37)29(46-5)28(33)35/h7-10,19-20,22,24,26-29,32,42-43H,6,11-18H2,1-5H3/t19-,20-,22+,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1

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InChIKey: NYZNHVPTUJDTPC-VUGQNDJHSA-N

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Source

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

Properties Information

Molecule Weight: 652.7850000000005

TPSA？: 135.07000000000002

MolLogP？: 2.410200000000001

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information