68324-06-1 (Hyperforin acetate,Hyperforin acetate)

CAS号:
68324-06-1
中文名称:
Hyperforin acetate
英文名称:
Hyperforin acetate
分子式:
C37H54O5
分子量:
578.82
植物源:

Hyperforin acetate(68324-06-1)名称与标识符

标识符

InChIKey:
LVZZATUFOHEBKS-CMRABKMFSA-N
Inchi:
1S/C37H54O5/c1-23(2)14-13-20-35(12)29(17-15-24(3)4)22-36(21-19-26(7)8)32(40)30(18-16-25(5)6)33(42-28(11)38)37(35,34(36)41)31(39)27(9)10/h14-16,19,27,29H,13,17-18,20-22H2,1-12H3/t29-,35+,36+,37-/m0/s1
SMILES:
C1(=O)C(C/C=C(\C)/C)=C(OC(C)=O)[C@]2(C(=O)[C@]1(C/C=C(\C)/C)C[C@H](C/C=C(\C)/C)[C@]2(CC/C=C(\C)/C)C)C(C(C)C)=O