9H-Oxireno[3′,4′]furo[3′,2′:7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, (2aR,3aS,5aR,9aR,10R,12bS,12cR)-
CAS Registry Number®
97804-04-1
CAS Name
9H-Oxireno[3′,4′]furo[3′,2′:7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, (2aR,3aS,5aR,9aR,10R,12bS,12cR)-Molecular Formula
C26H26O9Molecular Mass
482.48Cite this Page
9H-Oxireno[3′,4′]furo[3′,2′:7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, (2aR,3aS,5aR,9aR,10R,12bS,12cR)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=97804-04-1 (retrieved ) (CAS RN: 97804-04-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3/t16-,17-,22+,23+,24-,25+,26+/m0/s1
InChIKey
InChIKey=BATTZJIKLZSIAU-DNABOVRESA-N
SMILES
C[C@@]12[C@@]3([C@@](O3)(C(=O)O1)[H])C(C)(C)C(=O)[C@]4(O)[C@@]2(O)C5=C6[C@](C)([C@@H](OC5=O)C=7C=COC7)CCC=C6C4
Canonical SMILES
O=C1OC(C2=COC=C2)C3(C=4C(=CCC3)CC5(O)C(=O)C(C)(C)C67OC7C(=O)OC6(C)C5(O)C14)C
Other Names for this Substance
- 9H-Oxireno[3′,4′]furo[3′,2′:7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, (2aR,3aS,5aR,9aR,10R,12bS,12cR)-
- 9H-Oxireno[3′,4′]furo[3′,2′:7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, [2aR-(2aα,3aS*,5aβ,9aβ,10β,12bβ,12cβ)]-
- Dukunolide A