(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one
CAS Registry Number®
57852-42-3
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CAS Name
(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-oneMolecular Formula
C28H32O6Molecular Mass
464.55Cite this Page
(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57852-42-3 (retrieved ) (CAS RN: 57852-42-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24-,25-,26-,27-,28-/m1/s1
InChIKey
InChIKey=FFKXTXJQZGIKQZ-WAGMVDSNSA-N
SMILES
C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)(C1)O[C@](CC5=CC=CC=C5)(O2)O4)[H])(C=C(CO)C[C@@]6(O)[C@]3(C=C(C)C6=O)[H])[H]
Canonical SMILES
O=C1C(=CC2C1(O)CC(=CC3C4OC5(OC4(C(=C)C)CC(C)C32O5)CC=6C=CC=CC6)CO)C
Other Names for this Substance
- 7H-2,9b-Epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one, 3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-, (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-
- Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-
- (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one
- Resiniferol 9,13,14-orthophenylacetate
- ROPA
Deleted or Replaced CAS Registry Numbers
77414-00-7
