Venudelphine

AlkaPlorer ID: AK072051

Synonym: ''

IUPAC Name: [(1S,2S,3S,5R,8R,9S,10R,11S,14R,16S,17R,18R)-2,10-diacetyloxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate

Structure

SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]57[C@@H]2C[C@@H]1[C@@H](OC(C)=O)[C@@H]3[C@H]7N4C6

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InChI: InChI=1S/C26H33NO6/c1-11-7-25-8-16-21-24(5)9-17(31-12(2)28)23(33-14(4)30)26(21)18(25)6-15(11)20(32-13(3)29)19(25)22(26)27(16)10-24/h15-23H,1,6-10H2,2-5H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24-,25+,26-/m0/s1

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InChIKey: ONGMZTSYFJPFMP-LTPFZCTGSA-N

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Source

Properties Information

Molecule Weight: 455.5510000000002

TPSA: 82.14

MolLogP: 2.476400000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information