200,000+ products from a single source!
sales@angenechem.com
84331-34-0 | gentiodelphin
CAS No: 84331-34-0 Catalog No: AG00GQBY MDL No:
Product Description
Catalog Number:
AG00GQBY
Chemical Name:
gentiodelphin
CAS Number:
84331-34-0
IUPAC Name:
[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1
InChI Key:
CMHKKALEZOJWDP-JXKRDHHRSA-O
Properties
Complexity:
2020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
15
Defined Bond Stereocenter Count:
2
Exact Mass:
1113.272g/mol
Formal Charge:
1
Heavy Atom Count:
79
Hydrogen Bond Acceptor Count:
27
Hydrogen Bond Donor Count:
17
Isotope Atom Count:
0
Molecular Weight:
1113.957g/mol
Monoisotopic Mass:
1113.272g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
453A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structural features of polyacylated anthocyanins using matrix-assisted laser desorption/ionization and electrospray ionization time-of-flight mass spectrometry. | Rapid communications in mass spectrometry : RCM 20110430 |
| Genetic engineering of novel flower colour by suppression of anthocyanin modification genes in gentian. | Journal of plant physiology 20100215 |
| Identification and characterization of R2R3-MYB and bHLH transcription factors regulating anthocyanin biosynthesis in gentian flowers. | Plant & cell physiology 20081201 |
| Structure and chiroptical properties of supramolecular flower pigments. | Chirality 20060201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.