ChemSpider 2D Image | pladienolide B | C30H48O8

pladienolide B

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID17330476

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3S,4E,6S,7R,10R)-7,10-Dihydroxy-2-[(2E,4E,6S)-7-{(2R,3R)-3-[(2R,3S)-3-hydroxy-2-pentanyl]-2-oxiranyl}-6-methyl-2,4-heptadien-2-yl]-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl acetate [ACD/IUPAC Name]
(2S,3S,4E,6S,7R,10R)-7,10-Dihydroxy-2-[(2E,4E,6S)-7-{(2R,3R)-3-[(2R,3S)-3-hydroxy-2-pentanyl]-2-oxiranyl}-6-methyl-2,4-heptadien-2-yl]-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl-acetat [German] [ACD/IUPAC Name]
(4R,7R,8S,9E,11S,12S)-8-(Acetyloxy)-4,7-dihydroxy-12-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2S)-2-hydroxy-1-methylbutyl]-2-oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-7,11-dimethyloxacyclododec-9-en-2-one
445493-23-2 [RN]
Acétate de (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-{(2R,3R)-3-[(2R,3S)-3-hydroxy-2-pentanyl]-2-oxiranyl}-6-méthyl-2,4-heptadién-2-yl]-3,7-diméthyl-12-oxooxacyclododéc-4-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 8-(acetyloxy)-4,7-dihydroxy-12-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2S)-2-hydroxy-1-methylbutyl]oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-7,11-dimethyl-, (4R,7R,8S,9E,11S,12S)- [ACD/Index Name]
pladienolide B
(3R,6R,7S,8E,10S,11S,12E,14E,16S,18R,19R,20R,21S)-7-acetoxy-3,6,21-trihydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-triene-11-olide
(4R,7R,8S,9E,11S,12S)-8-(acetyloxy)-4,7-dihydroxy-12-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2S)-2-hydroxy-1-methylbutyl]-2-oxiranyl]-1,5-dimethyl-1,3-oxacyclododec-9-en-2-one
[445493-23-2] [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NChemBio.2007.16-comp5 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Metabolism Tocris Bioscience 6070
      DNA, RNA and Protein Synthesis Tocris Bioscience 6070
      mRNA splicing inhibitor; antitumor Tocris Bioscience 6070
      mRNA splicing inhibitor; decreases splicing capacity up to 75% in vitro. Directly targets splicesome-associated 130 (SAP130), inhibits splicing factor 3B subunit (SF3B1) and impairs U2 small nuclear ribonucleoprotein (U2 snRNP) interaction with pre-mRNA. Arrests cell cycle in G1 and G2/M phases. Displays antitumor activity against gastric cancer cells (IC50 values are 1.6-4.9 nM). Cell permeable and active in vivo. Tocris Bioscience 6070

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 209.6±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.43
ACD/KOC (pH 5.5): 1563.02
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.43
ACD/KOC (pH 7.4): 1563.01
Polar Surface Area: 126 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 470.8±5.0 cm3

Click to predict properties on the Chemicalize site


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