Information from the InChI
There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.
- Formula: C27H30O16·H2O·H2O·H2O
- Molecular weight: 664.5633
- IUPAC Standard InChI:
- InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
- IUPAC Standard InChIKey: NLLBWFFSGHKUSY-JPRRWYCFSA-N
- Connectivity:
- 2-d Mol File from the identifier
- Canonical atom numbers:
Note: stereochemistry is currently not indicated in the items above. - Stereoisomers:
Contents of the identifier
Identifier version: 1S
Main section
- Formula: C27H30O16.3H2O
- Connectivity: 1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;
- Hydrogen: 2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2
- sp3 Stereo: 8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;
- Stereo type: 1