Molecular Structure:
CCD No.:CCD00898591
PHYTOLACCAGENIN
CAS No.:
1802-12-6
Formula:C31 H48 O7
MolWeight:532.713
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| Product Name： | PHYTOLACCAGENIN |
| CAS： | 1802-12-6 |
| English Synonyms： | PHYTOLACCAGENIN |
| MDL Number.： | MFCD09953799 |
| H bond acceptor： | 7 |
| H bond donor： | 4 |
| Smile： | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC |
| InChi： | InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChiKey： | InChIKey=CYJWWQALTIKOAG-FLORRLIPSA-N |
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