Dinophysistoxin 2

CAS Registry Number®

139933-46-3

CAS Name

Dinophysistoxin 2

Molecular Formula

C44H68O13

Molecular Mass

805.00

Cite this Page

Dinophysistoxin 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139933-46-3 (retrieved 2024-11-23) (CAS RN: 139933-46-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

InChIKey

InChIKey=BRFKTXCAUCYQBT-AKHROESGSA-N

SMILES

C(=C/[C@@H](C)[C@]1(O[C@]2(O[C@H](C[C@@](C(O)=O)(C)O)CC[C@H]2O)C=C(C)C1)[H])\[C@@H]3O[C@@]4(O[C@@]5([C@@](CC4)(O[C@]([C@H](C[C@H](C)[C@]6(O[C@]7(CCC6)[C@@H](C)CCCO7)[H])O)(C(=C)[C@H]5O)[H])[H])[H])CC3

Canonical SMILES

O=C(O)C(O)(C)CC1OC2(OC(CC(=C2)C)C(C=CC3OC4(OC5C(O)C(=C)C(OC5CC4)C(O)CC(C)C6OC7(OCCCC7C)CCC6)CC3)C)C(O)CC1

Other Names for this Substance

  • 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, α,5-dihydroxy-α,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4′aR,5R,6′S,8′R,8′aS)-octahydro-8′-hydroxy-6′-[(1S,3S)-1-hydroxy-3-[(2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7′-methylenespiro[furan-2(3H),2′(3′H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-, (αR,2S,5R,6R,8S)-
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-31-demethyl-35-methyl-, (35S)-
  • 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, α,5-dihydroxy-α,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4′aR,5R,6′S,8′R,8′aS)-octahydro-8′-hydroxy-6′-[(1S,3S)-1-hydroxy-3-[(2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7′-methylenespiro[furan-2(3H),2′(3′H)-pyrano[3,2-b]pyran]-5-yl]-2-propenyl]-, (αR,2S,5R,6R,8S)-
  • Spiro[furan-2(3H),2′(3′H)-pyrano[3,2-b]pyran], acanthifolicin deriv.
  • 1,7-Dioxaspiro[5.5]undecane, acanthifolicin deriv.

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Deleted or Replaced CAS Registry Numbers

140445-94-9

CAS INSIGHTSTM
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