ChemSpider 2D Image | (1S,7a'S,9'Z,11a'S,12'S)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H,
9'H,11'H)-trione | C30H31NO10

(1S,7a'S,9'Z,11a'S,12'S)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H, 9'H,11'H)-trione

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID10142957
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,7a'S,9'Z,11a'S,12'S)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H, 9'H,11'H)-trione [ACD/IUPAC Name]
Spiro[cyclohex-2-ene-1,2'(1'H)-cyclopenta[de]naphthacene]-7',8',10'(9'H,11'H)-trione, 9'-(aminohydroxymethylene)-1',7'a,11'a,12'-tetrahydro-5',6',7'a,11'a,12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-, (1S,7a'S,9'Z,11a'S,12'S)- [ACD/Index Name]
(8,8'-Bi-1H-naphtho[2,3-c]pyran)-3,3'-diacetic acid, 3,3',4, 4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester
39277-41-3 [RN]
Spiro[2-cyclohexene-1, 2' (1'H)-cyclopenta[de]naphthacene]-9'-carboxamide, 7',7'a,8',11', 11'a,12'-hexahydro-5',6',7'a,10',11'a, 12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (2'α,7'aβ,11'aβ,12'β)-(-)-
viridicatumtoxin
Viriditoxin
VIRIDITOXIN (FORMERLY)

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

NSC159628 [DBID]
SC 28762 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.3±32.9 °C
Index of Refraction: 1.771
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 46.74
ACD/KOC (pH 5.5): 206.99
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

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