ChemSpider 2D Image | (7'R,12'R,14'R,16'S,17'R,20'Z,22'Z)-24'-Acetyl-28'-hydroxy-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.1~14,17~.0~1,3~.0~7,12~.0~7,16~]nonacosa[10,20,22]triene ]-4',19'-dione | C29H34O10

(7'R,12'R,14'R,16'S,17'R,20'Z,22'Z)-24'-Acetyl-28'-hydroxy-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa[10,20,22]triene ]-4',19'-dione

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID4953062

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(7'R,12'R,14'R,16'S,17'R,20'Z,22'Z)-24'-Acetyl-28'-hydroxy-10',16'-dimethyl-4'H,19'H-spiro[oxirane-2,15'-[2,5,13,18,25]pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa[10,20,22]triene ]-4',19'-dione [ACD/IUPAC Name]
53126-10-6 [RN]
73513-01-6 [RN]
Spiro((10,12:19,22a)-dimethano-4H,5H,22aH-oxireno(8,9)(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-11(10H),2'-oxirane)-2,14(1aH,17H)-dione, 19-acetyl-6,8a,11a,12,21,22-hexahydro-23-hydroxy-7,11a-dimethyl-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 802.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.86
ACD/KOC (pH 5.5): 138.17
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.86
ACD/KOC (pH 7.4): 138.17
Polar Surface Area: 133 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 380.1±5.0 cm3

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