(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl (2E,4E,6E)-2,4,6-decatrienoate

CAS Registry Number®

55306-10-0

CAS Name

(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl (2E,4E,6E)-2,4,6-decatrienoate

Molecular Formula

C37H42O10

Molecular Mass

646.72

Cite this Page

(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl (2E,4E,6E)-2,4,6-decatrienoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55306-10-0 (retrieved 2024-12-22) (CAS RN: 55306-10-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3

InChIKey

InChIKey=NEIGQRKMHFDLTK-UHFFFAOYSA-N

SMILES

CC1C23C(C4C(C(C)=C)(C1OC(C=CC=CC=CCCC)=O)OC(O2)(O4)C5=CC=CC=C5)C6C(CO)(O6)C(O)C7(O)C3C=C(C)C7=O

Canonical SMILES

O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=CC=CC=CCCC

Other Names for this Substance

  • 2,4,6-Decatrienoic acid, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester, (2E,4E,6E)-
  • Daphnetoxin, 12-[(1-oxo-2,4,6-decatrienyl)oxy]-, [12β(2E,4E,6E)]-
  • (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl (2E,4E,6E)-2,4,6-decatrienoate
  • Gniditrin
  • Daphne factor P1

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CAS INSIGHTSTM
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