959120-02-6
(3R,6R,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl ((3R,6R,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl) succinate
Name(3R,6R,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl ((3R,6R,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl) succinate
1Identification
【Name】
(3R,6R,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl ((3R,6R,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl) succinate
【CAS】
【MDL】
【English Synonyms】
(3R,6R,9R,10R,12R,12AR)-3,6,9-TRIMETHYLDECAHYDRO-3H-3,12-EPOXY[1,2]DIOXEPINO[4,3-I]ISOCHROMEN-10-YL ((3R,6R,9R,10S,12R,12AR)-3,6,9-TRIMETHYLDECAHYDRO-3H-3,12-EPOXY[1,2]DIOXEPINO[4,3-I]ISOCHROMEN-10-YL) SUCCINATE
【Formula】
C34H50O12
【MolWeight】
650.7536
【Inchi】
InChI=1S/C34H50O12/c1-17-7-9-23-19(3)27(39-29-33(23)21(17)13-15-31(5,41-29)43-45-33)37-25(35)11-12-26(36)38-28-20(4)24-10-8-18(2)22-14-16-32(6)42-30(40-28)34(22,24)46-44-32/h17-24,27-30H,7-16H2,1-6H3/t17-,18-,19-,20-,21?,22?,23?,24?,27-,28+,29-,30-,31-,32-,33-,34-/m1/s1
【InChIKey】
InChIKey=OTIARJABKBSMJX-KQJKBURRSA-N
【SMILES】
C(CCC(=O)O[C@@H]1O[C@H]2[C@@]34C([C@@H](CCC3[C@H]1C)C)CC[C@@](OO4)(O2)C)(=O)O[C@H]2O[C@H]4[C@@]13C([C@@H](CCC1[C@H]2C)C)CC[C@@](OO3)(O4)C
【MOL File】
(3R,6R,9R,10R,12R,12….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(3R,6R,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl ((3R,6R,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl) succinate.cml