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name Structure Reference Source Properties Activities Metabolism

(1S)-1-[(1R,2R,5R,10S,11R,14S,15S,16R)-16-(acetyloxy)-5,10,11,14-tetrahydroxy-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethyl pyridine-2-carboxylate

AlkaPlorer ID: AK197787

Synonym: None

IUPAC Name: [(1S)-1-[(3R,8S,9R,10R,12R,13S,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10-methyl-2,3,4,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] pyridine-2-carboxylate

Structure

SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)([C@H](C)OC(=O)C3=CC=CC=N3)[C@H]12

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InChI: InChI=1S/C28H37NO8/c1-16(36-24(32)20-6-4-5-13-29-20)26(33)11-12-28(35)23(26)21(37-17(2)30)15-22-25(3)9-8-19(31)14-18(25)7-10-27(22,28)34/h4-7,13,16,19,21-23,31,33-35H,8-12,14-15H2,1-3H3/t16-,19+,21+,22+,23-,25-,26+,27-,28+/m0/s1

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InChIKey: IMMUOVQSDSHLHH-FXSBPKGLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 515.6030000000003

TPSA？: 146.41000000000005

MolLogP？: 2.063

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information