Molecular Structure:
CCD No.:CCD00065245
PENTAERYTHRITOL ABIETATE
Formula:C85 H124 O8
MolWeight:1273.91
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| Product Name： | PENTAERYTHRITOL ABIETATE |
| English Synonyms： | PENTAERYTHRITOL ABIETATE |
| MDL Number.： | MFCD00134961 |
| H bond acceptor： | 8 |
| H bond donor： | 0 |
| Smile： | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)(COC(=O)[C@@]7(CCC[C@]8([C@H]7CC=C9[C@@H]8CCC(=C9)C(C)C)C)C)COC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)C)C |
| InChi： | InChI=1S/C85H124O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1 |
| InChiKey： | InChIKey=BQSWWPVLPPRSPJ-FIKIKMCASA-N |
Basic Information
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