2,4,6-Hexadecatrienoic acid, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester

CAS Registry Number®

57672-76-1

CAS Name

2,4,6-Hexadecatrienoic acid, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester

Molecular Formula

C36H52O8

Molecular Mass

612.79

Cite this Page

2,4,6-Hexadecatrienoic acid, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57672-76-1 (retrieved 2024-11-12) (CAS RN: 57672-76-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1

InChIKey

InChIKey=NEZVVESVXBEHTR-XHBFUOJKSA-N

SMILES

O(C(C=CC=CC=CCCCCCCCCC)=O)[C@]12[C@]([C@@]3([C@]4([C@](CO)(O4)[C@@H](O)[C@@]5(O)[C@]([C@@]3(O)[C@H](C)C1)(C=C(C)C5=O)[H])[H])[H])(C2(C)C)[H]

Canonical SMILES

O=C(OC12CC(C)C3(O)C4C=C(C(=O)C4(O)C(O)C5(OC5C3C1C2(C)C)CO)C)C=CC=CC=CCCCCCCCCC

Other Names for this Substance

  • 2,4,6-Hexadecatrienoic acid, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester
  • 2,4,6-Hexadecatrienoic acid, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester, [1aR-(1aα,1bβ,1cβ,2aβ,3β,3aβ,6aα,6bα,7α,8aα)]-
  • 8aH-Cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxirene, 2,4,6-hexadecatrienoic acid deriv.
  • Mancinellin

CAS INSIGHTSTM
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