6-O-Acetyl-14-O-methyldelphinifoline

AlkaPlorer ID: AK104670

Synonym: ''

IUPAC Name: [(1R,2R,3R,4R,5R,6S,8R,9R,10R,13R,16S,17S,18S)-11-ethyl-8,9,16-trihydroxy-4,6-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl] acetate

Structure

SMILES: CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H]13)[C@@H](OC(C)=O)[C@@H]24

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InChI: InChI=1S/C26H41NO8/c1-6-27-11-23(12-32-3)8-7-17(29)25-15-9-14-16(33-4)10-24(30,18(15)19(14)34-5)26(31,22(25)27)21(20(23)25)35-13(2)28/h14-22,29-31H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20+,21+,22-,23-,24-,25-,26+/m1/s1

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InChIKey: QCTHOTYGOSXAKW-XGOFSFAHSA-N

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Source

Properties Information

Molecule Weight: 495.6130000000003

TPSA: 117.92000000000002

MolLogP: 0.1877000000000024

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information