Primary record
orb1738420
- CAS
- 128201-92-3
- PubChem CID
- 9918943
- SMILES
- CCOCCC(=O)OC1=C2C3=C(C4=C1C=CC=C4O[C@H]5[C@@H]([C@@H]6[C@H]([C@H](O5)C)O[C@@H](O6)C7=CC=CC=C7)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)OC)O)OC(=O)C9=C(C=CC(=C93)OC2=O)C
- Molecular Formula
- C44H44O16
- Molecular Weight
- 828.82
- Exact Mass
- 828.2629
- InChI
- InChI=1S/C44H44O16/c1-6-51-18-17-26(45)56-35-23-13-10-14-24(28(23)36-30-29-25(54-41(49)31(30)35)16-15-19(2)27(29)40(48)57-36)55-44-39(60-43-33(47)37(50-5)32(46)20(3)52-43)38-34(21(4)53-44)58-42(59-38)22-11-8-7-9-12-22/h7-16,20-21,32-34,37-39,42-44,46-47H,6,17-18H2,1-5H3/t20-,21-,32+,33-,34+,37+,38+,39-,42+,43-,44+/m1/s1
- InChIKey
- YAZCVTSUQIJVMZ-SDMTUEQXSA-N
- LogP
- 4.7572
- TPSA
- 201.02
Names and synonyms
- orb1738420
- CID9918943
- CID 9918943
- 128201-92-3