acotarine D

AlkaPlorer ID: AK009773

Synonym: None

IUPAC Name: None

Structure

SMILES: CCN1C(O2)[C@]34C([C@@H]2C=C5[C@]6([H])[C@@]4([H])C[C@H](C(OC)C5)[C@@H]6O)[C@@](C1)(COC(C)=O)CC[C@@H]3OC

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InChI: InChI=1S/C25H37NO6/c1-5-26-11-24(12-31-13(2)27)7-6-19(30-4)25-16-10-15-17(29-3)8-14(20(16)21(15)28)9-18(22(24)25)32-23(25)26/h9,15-23,28H,5-8,10-12H2,1-4H3/t15-,16-,17?,18+,19+,20-,21+,22?,23?,24+,25+/m1/s1

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InChIKey: TVAOSNCRVCKRPC-QTENDDDYSA-N

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Source

Properties Information

Molecule Weight: 447.5720000000003

TPSA: 77.46000000000002

MolLogP: 1.9796000000000002

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information