Calotoxin
CAS Registry Number®
20304-49-8
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CAS Name
CalotoxinMolecular Formula
C29H40O10Molecular Mass
548.62Cite this Page
Calotoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=20304-49-8 (retrieved ) (CAS RN: 20304-49-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
244 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H40O10/c1-14-23(32)24(33)29(35)25(37-14)38-20-10-16-3-4-19-18(27(16,13-30)11-21(20)39-29)5-7-26(2)17(6-8-28(19,26)34)15-9-22(31)36-12-15/h9,13-14,16-21,23-25,32-35H,3-8,10-12H2,1-2H3/t14-,16+,17-,18+,19-,20-,21-,23-,24-,25+,26-,27-,28+,29+/m1/s1
InChIKey
InChIKey=LYSHVSOMKBORDM-NFYSVIEISA-N
SMILES
C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(C[C@@]6([C@@](C2)(O[C@]7(O)[C@](O6)(O[C@H](C)[C@@H](O)[C@H]7O)[H])[H])[H])[H])[H])[H]
Canonical SMILES
O=CC12CC3OC4(O)C(OC(C)C(O)C4O)OC3CC2CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O
Other Names for this Substance
- Card-20(22)-enolide, 14-hydroxy-19-oxo-2,3-[[(2S,3S,4R,5S,6R)-tetrahydro-3,4,5-trihydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-, (2α,3β,5α)-
- Calotoxin
- Card-20(22)-enolide, 14-hydroxy-19-oxo-2,3-[(tetrahydro-3,4,5-trihydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy)]-, [2α(2S,3S,4R,5S,6R),3β,5α]-
- (2α,3β,5α)-14-Hydroxy-19-oxo-2,3-[[(2S,3S,4R,5S,6R)-tetrahydro-3,4,5-trihydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]card-20(22)-enolide
Deleted or Replaced CAS Registry Numbers
36209-53-7