CAS Registry Number®
1422506-50-0
No image available.
Molecular Formula
C31H37N3O6Molecular Mass
547.64Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1422506-50-0 (retrieved ) (CAS RN: 1422506-50-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H37N3O6/c1-4-16-18-11-23-26-19(17-7-5-6-8-20(17)33-26)12-22(25(18)21-10-14(2)9-15(3)32-21)34(23)30(16)40-31-29(38)28(37)27(36)24(13-35)39-31/h4-10,18,22-25,27-31,33,35-38H,11-13H2,1-3H3/b16-4+/t18-,22-,23-,24+,25-,27+,28-,29+,30+,31-/m0/s1
InChIKey
InChIKey=UCCMUMCXKRGZPN-WGRQGCIHSA-N
SMILES
O([C@H]\1[N@]2[C@@]3([C@@H]([C@@](C[C@]2(C4=C(C3)C=5C(N4)=CC=CC5)[H])(/C1=C\C)[H])C6=CC(C)=CC(C)=N6)[H])[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O
Canonical SMILES
OCC1OC(OC2C(=CC)C3CC4C=5NC=6C=CC=CC6C5CC(N24)C3C7=NC(=CC(=C7)C)C)C(O)C(O)C1O
Other Names for this Substance
- Rauvotetraphylline B
