CAS Registry Number®
751-03-1
CAS Name
Obacunone
Molecular Formula
C26H30O7
Molecular Mass
454.51
Compound Properties
-
Melting Point (1)
130-229 °C
Source(s)
- (1) Kaku, T.; Yakugaku Zasshi, (1935), 55, 222-3, CAplus
Other Names and Identifiers
InChI
InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChIKey
InChIKey=MAYJEFRPIKEYBL-OASIGRBWSA-N
SMILES
C[C@]12[C@]34[C@](O3)(C(=O)O[C@H]([C@]4(C)CC[C@@]1([C@]5(C)[C@@](CC2=O)(C(C)(C)OC(=O)C=C5)[H])[H])C=6C=COC6)[H]
Canonical SMILES
O=C1OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C2(C=C1)C
Other Names for this Substance
- Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-
- Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aαH,4bH,6H)-trione, 1α-(3-furyl)-1,6aα,7,11a,11bα,12,13,13a-octahydro-4bβ,7,7,11aβ,13aα-pentamethyl-
- Obacunone
- Obacunoic acid, ε-lactone
- (1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione
- Tricoccin S3
- Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-, [1S-(1α,3aα,4aS*,4bβ,6aα,11aβ,11bα,13aα)]-
- [1S-(1α,3aα,4aS*,4bβ,6aα,11aβ,11bα,13aα)]-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione
- Obacunoic acid 3,4-lactone
- 14,15:21,23-Diepoxy-4,4,8-trimethyl-A,D-dihomo-24-nor-4,17-dioxachola-1,20,22-triene-3,7,16-trione
- Obakunone
Deleted or Replaced CAS Registry Numbers
40758-67-6, 40758-68-7
