ChemSpider 2D Image | (19'Z,21'Z)-27'-Hydroxy-23'-(1-hydroxyethyl)-9',15'-dimethyl-3'H,18'H-spiro[oxiran-2,14'-[4,12,17,24]tetraoxapentacyclo[21.3.1.1~13,16~.0~6,11~.0~6,15~]octacosa[1,9,19,21]tetraen]-3',18'-dion | C29H36O9

(19'Z,21'Z)-27'-Hydroxy-23'-(1-hydroxyethyl)-9',15'-dimethyl-3'H,18'H-spiro[oxiran-2,14'-[4,12,17,24]tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa[1,9,19,21]tetraen]-3',18'-dion

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID4515470

  • Double-bond stereo - Double-bond stereo

More details:

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

(19'Z,21'Z)-27'-Hydroxy-23'-(1-hydroxyethyl)-9',15'-dimethyl-3'H,18'H-spiro[oxiran-2,14'-[4,12,17,24]tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa[1,9,19,21]tetraen]-3',18'-dion
(19'Z,21'Z)-27'-Hydroxy-23'-(1-hydroxyethyl)-9',15'-dimethyl-3'H,18'H-spiro[oxirane-2,14'-[4,12,17,24]tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa[1,9,19,21]tetraene]-3',18'-dione [ACD/IUPAC Name]
(19'Z,21'Z)-27'-Hydroxy-23'-(1-hydroxyéthyl)-9',15'-diméthyl-3'H,18'H-spiro[oxirane-2,14'-[4,12,17,24]tétraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa[1,9,19,21]tétraène]-3',18'-dione
53126-64-0 [RN]
93860-23-2 [RN]
NOVEL TRICHOTHECENE
satratoxin H
Satratoxin H, stereoisomer

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

NSC349153 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Ether; Ester; Mycotoxin; Lachrymator; Fungal Toxin; Natural Compound Toxin, Toxin-Target Database T3D3712

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

Density: 1.4±0.1 g/cm3
Boiling Point: 803.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 267.0±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.06
ACD/KOC (pH 5.5): 194.38
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.06
ACD/KOC (pH 7.4): 194.38
Polar Surface Area: 124 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 386.2±5.0 cm3

Click to predict properties on the Chemicalize site


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