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name Structure Reference Source Properties Activities Metabolism

[(1R,2S,3S,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-2,8,9-trihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

AlkaPlorer ID: AK250749

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC

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InChI: InChI=1S/C32H46N2O9/c1-6-34-15-28(16-43-26(35)17-9-7-8-10-19(17)33)12-11-21(40-3)31-24(28)25(42-5)32(38,27(31)34)30(37)14-20(39-2)18-13-29(31,36)23(30)22(18)41-4/h7-10,18,20-25,27,36-38H,6,11-16,33H2,1-5H3/t18-,20+,21+,22+,23+,24-,25+,27+,28+,29+,30-,31-,32-/m1/s1

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InChIKey: VNRZCPPHNPEBFC-BKAPFMHSSA-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: 602.7250000000003

TPSA？: 153.17000000000002

MolLogP？: 0.8328000000000031

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information