11,16-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione, 13,14,21,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-22-(benzoyloxy)-5,6,9,10,12,13,14,15,16,17-decahydro-6,10-dihydroxy-5,6,10,16-tetramethyl-, (5R,6R,9S,10S,11S,12R,13S,14R,15R,16R,21R,22R,23R)-
CAS Registry Number®
CAS Name
11,16-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione, 13,14,21,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-22-(benzoyloxy)-5,6,9,10,12,13,14,15,16,17-decahydro-6,10-dihydroxy-5,6,10,16-tetramethyl-, (5R,6R,9S,10S,11S,12R,13S,14R,15R,16R,21R,22R,23R)-Molecular Formula
C43H49NO19Molecular Mass
883.84Cite this Page
11,16-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione, 13,14,21,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-22-(benzoyloxy)-5,6,9,10,12,13,14,15,16,17-decahydro-6,10-dihydroxy-5,6,10,16-tetramethyl-, (5R,6R,9S,10S,11S,12R,13S,14R,15R,16R,21R,22R,23R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=262599-04-2 (retrieved ) (CAS RN: 262599-04-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20-,29-,30-,31+,32-,33+,34-,35+,39+,40-,41+,42-,43+/m1/s1
InChIKey
InChIKey=XTKWHABDRIDBLJ-DWELFCMGSA-N
SMILES
C(OC(C)=O)[C@]12[C@@]34[C@H](OC(C)=O)[C@]([C@@](C)(O3)COC(=O)C=5C([C@@H](C)[C@@](C)(O)C(=O)O[C@]([C@]4(C)O)([C@H](OC(C)=O)[C@@H]1OC(=O)C6=CC=CC=C6)[H])=CC=NC5)([C@@H](OC(C)=O)[C@H]2OC(C)=O)[H]
Canonical SMILES
O=C1OCC2(OC34C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C=5C=CC=CC5)C(OC(=O)C)C(OC(=O)C(O)(C)C(C=6C=CN=CC16)C)C3(O)C)C
Other Names for this Substance
- 11,16-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione, 13,14,21,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-22-(benzoyloxy)-5,6,9,10,12,13,14,15,16,17-decahydro-6,10-dihydroxy-5,6,10,16-tetramethyl-, (5R,6R,9S,10S,11S,12R,13S,14R,15R,16R,21R,22R,23R)-
- Wilfordinine C