ChemSpider 2D Image | (2S,3'R,8'R,12'Z,19'Z,21'Z,25'R)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.1~15,18~.0~3,8~.0~8,26~]nonacosa[4,12,19,21]tetraene]-11',23'-dione | C29H36O8

(2S,3'R,8'R,12'Z,19'Z,21'Z,25'R)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]tetraene]-11',23'-dione

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID4952876

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(2S,3'R,8'R,12'Z,19'Z,21'Z,25'R)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]tetraene]-11',23'-dione [ACD/IUPAC Name]
29953-50-2 [RN]
CL-72-VB-2
CL-72-VB-s
roridin H
Roridine H
Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7',5'-(ethylideneoxy)-
Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7',5'-(ethylideneoxy)- (9CI)
Verrucarin H

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

NSC 274540 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 303.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.97
ACD/KOC (pH 5.5): 628.46
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.97
ACD/KOC (pH 7.4): 628.46
Polar Surface Area: 93 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

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