Betulin derivative
Molecular Formula:
C
42
H
64
O
5
S
InChI:
InChI=1/C42H64O5S/c1-28(2)31-18-23-42(27-46-48(43,44)30-14-12-29(3)13-15-30)25-24-40(7)32(37(31)42)16-17-34-39(6)21-20-35(47-36-11-9-10-26-45-36)38(4,5)33(39)19-22-41(34,40)8/h12-15,31-37H,1,9-11,16-27H2,2-8H3
InChIKey:
InChIKey=DSNLMYRCHYFVDO-UHFFFAOYAN
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C2C4CCC5C6(CCC(C(C6CCC5(C4(CC3)C)C)(C)C)OC7CCCCO7)C)C(=C)C
Names:
Betulin derivative
NSC195202
Registries:
PubChem CID 304254
PubChem ID 8140557