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Catalog Number | ACM31282072 |
CAS Number | 31282-07-2 |
Structure | ![]() |
Synonyms | Vomilenine β-D-glucopyranoside |
Molecular Weight | 512.6 |
InChI | InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24?,25+,26-,27+/m0/s1 |
InChI Key | OSJPGOJPRNTSHP-BGYCQZOHSA-N |
Purity | 95%+ |
Complexity | 1030 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 10 |
Exact Mass | 512.21586598 |
Heavy Atom Count | 37 |
Hydrogen Bond Acceptor Count | 10 |
Hydrogen Bond Donor Count | 4 |
Isomeric SMILES | C/C=C/1\[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@@H](C2C6OC(=O)C)N3[C@@H]1O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
Monoisotopic Mass | 512.21586598 |
PhysicalState | Powder |
Rotatable Bond Count | 5 |
Topological Polar Surface Area | 141 Ų |
What is the chemical formula of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The chemical formula is C27H32N2O8.
What is the molecular weight of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The molecular weight is 512.56 g/mol.
What is the density of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The density is predicted to be 1.75±0.1 g/cm3.
What is the pka value of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The pka value is predicted to be 12.84±0.70.
What are some synonyms for (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
Some synonyms include Raucaffiricine, Raucaffricin, Raucaffricine, and Vomilenine β-D-glucopyranoside.
What is the CAS number of this compound?
The CAS number is 31282-07-2.
What is the EINECS number of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The EINECS number is 250-546-0.
What is the molar mass of (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside?
The molar mass is 512.56 g/mol.
How many carbon, hydrogen, nitrogen, and oxygen atoms are present in the chemical formula of this compound?
There are 27 carbon atoms, 32 hydrogen atoms, 2 nitrogen atoms, and 8 oxygen atoms.
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