Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key RLBOHEVJVBXZQZ-AXCJZLSHSA-N
Smiles CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@H]6[C@H]7O)OC)OCO5)O)OC)C
InChI
InChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(29-4)23-13-8-12-14(28-3)9-22(16(13)17(12)26)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H37NO6
Molecular Weight 435.26
AlogP 1.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 80.62
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 119371-58-3
NORMAN SUSDAT
PubChem 20055902
ChemSpider 10211127.0