None

AlkaPlorer ID: AK323060

Synonym: None

IUPAC Name: [(1S,2R,3S,4S,5S,7S,9S,13S,14R,15R,16S,17R)-2,3,4,7-tetrahydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C=C1C[C@@]23[C@H]4[C@H](OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2C1N(C)C[C@]2(C)C[C@H](O)C[C@@]14[C@]2(O)[C@@H](O)[C@@H]3O

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InChI: InChI=1S/C31H43NO8/c1-8-14(3)26(36)39-20-18-16(5)10-29-19(18)23-30(22(29)21(20)40-27(37)15(4)9-2)12-17(33)11-28(6,13-32(23)7)31(30,38)25(35)24(29)34/h8-9,17-25,33-35,38H,5,10-13H2,1-4,6-7H3/b14-8+,15-9+/t17-,18-,19+,20+,21+,22+,23?,24-,25-,28-,29-,30-,31-/m0/s1

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InChIKey: ADJAOKUWMHKPQI-WFHNZYOHSA-N

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Reference

PubChem CID: 127024867

Source

Properties Information

Molecule Weight: 557.6840000000004

TPSA: 136.76000000000002

MolLogP: 1.4923999999999995

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information