Vescalin
CAS Registry Number®
34112-28-2
No image available.
CAS Name
VescalinMolecular Formula
C27H20O18Molecular Mass
632.44Cite this Page
Vescalin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=34112-28-2 (retrieved ) (CAS RN: 34112-28-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2
InChIKey
InChIKey=PPUHUWSVCUJGTD-UHFFFAOYSA-N
SMILES
O=C1C=2C=3C=4C5=C(C(O)C(C(O1)C(O)C(CO)OC(=O)C=6C(C2C(O)=C(O)C3O)=C(O)C(O)=C(O)C6)OC5=O)C(O)=C(O)C4O
Canonical SMILES
O=C1OC(CO)C(O)C2OC(=O)C=3C(=C(O)C(O)=C(O)C3C=4C(O)=C(O)C(O)=C5C4C(=O)OC2C5O)C=6C(O)=C(O)C(O)=CC16
Other Names for this Substance
- Vescalin
- Neovescalin, intramol. 25,17-ester
- 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin, neovescalin deriv.
- (-)-Vescalin