Dinophysistoxin 1

CAS Registry Number®

81720-10-7

CAS Name

Dinophysistoxin 1

Molecular Formula

C45H70O13

Molecular Mass

819.03

Cite this Page

Dinophysistoxin 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81720-10-7 (retrieved 2024-11-22) (CAS RN: 81720-10-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1

InChIKey

InChIKey=CLBIEZBAENPDFY-HNXGFDTJSA-N

SMILES

O[C@H]1[C@@]2(O[C@]([C@@H](/C=C/[C@@H]3O[C@]4(CC3)O[C@@]5([C@@](CC4)(O[C@]([C@H](C[C@H](C)[C@]6(O[C@]7(CC[C@H]6C)[C@H](C)CCCO7)[H])O)(C(=C)[C@H]5O)[H])[H])[H])C)(CC(C)=C2)[H])O[C@H](C[C@@](C(O)=O)(C)O)CC1

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)CCC6C)CC3)C)C(O)CC1

Other Names for this Substance

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration