21884-44-6
RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)-
NameRUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)-
1Identification
【Name】
RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)-
【CAS】
【MDL】
MFCD01745027
【English Synonyms】
RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)-
【Formula】
C32 H26 O12
【MolWeight】
602.545
【Inchi】
InChI=1S/C32H26O12/c1-7-3-11(33)13-15(21(7)35)29(43)31-5-9-24(38)18-17(31)23(37)10(25(39)19(31)27(13)41)6-32(18)20(26(9)40)28(42)14-12(34)4-8(2)22(36)16(14)30(32)44/h3-4,9-10,17-18,23-24,33-40H,5-6H2,1-2H3/t9-,10-,17?,18?,23?,24?,31+,32+/m0/s1
【InChIKey】
InChIKey=BEBWNALQMAKOHO-BAGMIIOASA-N
【SMILES】
Cc1cc(c2c(c1O)C(=O)[C@]34C[C@H]5C(C6C3C([C@H](C[C@@]67C(=O)c8c(c(cc(c8O)C)O)C(=O)C7=C5O)C(=C4C2=O)O)O)O)O
【MOL File】
RUGULOSIN, 8,8'-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:12
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)-.cml