Cassaidine; 19-Hydroxy, 7-ketone

AlkaPlorer ID: AK291789

Synonym: 19-Hydroxycassaine

IUPAC Name: None

Structure

SMILES: CC1/C(=C\C(=O)OCCN(C)C)CCC2C1C(=O)CC1C(C)(CO)C(O)CCC21C

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InChI: InChI=1S/C24H39NO5/c1-15-16(12-21(29)30-11-10-25(4)5)6-7-17-22(15)18(27)13-19-23(17,2)9-8-20(28)24(19,3)14-26/h12,15,17,19-20,22,26,28H,6-11,13-14H2,1-5H3/b16-12-

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InChIKey: UKRGCJXIGJFLCC-VBKFSLOCSA-N

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Reference

CAS: 51795-37-0

Source

Properties Information

Molecule Weight: 421.57800000000026

TPSA: 87.07000000000001

MolLogP: 2.4285

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information