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name Structure Reference Source Properties Activities Metabolism

[(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9,16-tetrahydroxy-6,18-dimethoxy-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: AK267600

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9,16-tetrahydroxy-6,18-dimethoxy-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](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C35H46N2O10/c1-5-36-15-32(16-47-30(42)18-8-6-7-9-21(18)37-24(39)12-17(2)29(37)41)11-10-23(38)34-20-13-19-22(45-3)14-33(43,25(20)26(19)40)35(44,31(34)36)28(46-4)27(32)34/h6-9,17,19-20,22-23,25-28,31,38,40,43-44H,5,10-16H2,1-4H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31-,32-,33+,34-,35+/m0/s1

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InChIKey: FRZAEBZEHFXWKR-JVBPJWSTSA-N

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Source

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

Properties Information

Molecule Weight: 654.7570000000004

TPSA？: 166.29999999999998

MolLogP？: 0.7269000000000028

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information