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name Structure Reference Source Properties Activities Metabolism

(1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16S,17S)-5,11,16,17-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethyl pyridine-3-carboxylate

AlkaPlorer ID: AK193771

Synonym: None

IUPAC Name: [(1S)-1-[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate

Structure

SMILES: C[C@H](OC(=O)C1=CC=CN=C1)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C

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InChI: InChI=1S/C27H39NO6/c1-15(34-24(32)16-5-4-12-28-14-16)19-9-11-27(33)20-7-6-17-13-18(29)8-10-25(17,2)21(20)22(30)23(31)26(19,27)3/h4-5,12,14-15,17-23,29-31,33H,6-11,13H2,1-3H3/t15-,17-,18-,19+,20+,21+,22-,23+,25-,26-,27-/m0/s1

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InChIKey: YXVMXCMMJVQPPS-YQJAEMEYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Marsdenia cundurango Marsdenia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 473.6100000000002

TPSA？: 120.11

MolLogP？: 2.7032000000000007

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information