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14-Acetylbearline

AlkaPlorer ID: AK130708

Synonym: ''

IUPAC Name: [(1R,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18S)-4,6-diacetyloxy-11-ethyl-8,9-dihydroxy-16,18-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](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC(C)=O)[C@@](O)([C@H]13)[C@@H](OC)[C@H]24

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InChI: InChI=1S/C39H50N2O12/c1-7-40-17-36(18-51-34(46)22-10-8-9-11-25(22)41-28(44)14-19(2)33(41)45)13-12-27(49-5)38-24-15-23-26(52-20(3)42)16-37(47,29(24)30(23)53-21(4)43)39(48,35(38)40)32(50-6)31(36)38/h8-11,19,23-24,26-27,29-32,35,47-48H,7,12-18H2,1-6H3/t19-,23+,24+,26-,27-,29+,30-,31+,32-,35+,36-,37+,38+,39-/m0/s1

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InChIKey: URQIVYYWPHFPBY-XPTVJTOFSA-N

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Source

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

Properties Information

Molecule Weight: 738.8310000000005

TPSA？: 178.44

MolLogP？: 1.8685000000000027

Number of H-Donors: 2

Number of H-Acceptors: 13

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information