ChemSpider 2D Image | 4,22-Dihydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione | C27H34O10

4,22-Dihydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID4585135

  • Double-bond stereo - Double-bond stereo

More details:

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

(18'Z,20'Z)-6',12'-Dihydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,18,20]triene]-11',17',22'-trione [ACD/IUPAC Name]
4,22-Dihydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
74516-62-4 [RN]
8-Hydroxy verrucarin A
8-α-Hydroxyverrucarin A
8-α-Hydroxyverrucarin A
VERRUCARIN A, 8-HYDROXY
VERRUCARIN A, A-ALLYLIC ALCOHOL OF
α-Allylic alcohol of Verrucarin A
α-Allylic alcohol of Verrucarin A

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

AIDS016201 [DBID]
AIDS-016201 [DBID]
NSC 318142 [DBID]
NSC291312 [DBID]
NSC318142 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 790.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 264.5±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -0.95
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 47.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 47.00
Polar Surface Area: 141 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 376.7±5.0 cm3

Click to predict properties on the Chemicalize site


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