ChemSpider 2D Image | roridin E | C29H38O8

roridin E

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID10210055

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'R,2S,3'R,8'R,12'E,17'R,18'E,20'Z,24'R,25'S)-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-trimethyl-11'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraene]-11',22'-dione
(1'R,3'R,8'R,12'E,17'R,18'E,20'Z,24'R,25'S)-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-trimethyl-11'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetra ene]-11',22'-dione [ACD/IUPAC Name]
(2'E,7'R)-2',3'-didehydro-7'-deoxo-2'-deoxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
[2'E,7'R(R)]-2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)verrucarin A
16891-85-3 [RN]
roridin E
(1'R,2S,3'R,8'R,12'E,17'R,18'E,20'Z,24'R,25'S)-17'-[(1R)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.03,8.08,25]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(4E,9R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-9-[(1R)-1-hydroxyethyl]-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,14(9H)-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 243.5±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.19
ACD/KOC (pH 5.5): 506.88
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.19
ACD/KOC (pH 7.4): 506.88
Polar Surface Area: 104 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

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