ChemSpider 2D Image | (3R,6aR,6bR,10S,12aR,14aR)-6a,6b,9,9,12a-Pentamethyl-3-(3-methyl-2-buten-1-yl)-1,6-dioxo-4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-1H,3H-furo[3,4-c]phenanthro[2,1-e]oxepin-10-yl 6-O- (6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C42H64O14

(3R,6aR,6bR,10S,12aR,14aR)-6a,6b,9,9,12a-Pentamethyl-3-(3-methyl-2-buten-1-yl)-1,6-dioxo-4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-1H,3H-furo[3,4-c]phenanthro[2,1-e]oxepin-10-yl 6-O- (6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC42H64O14
  • Average mass792.949 Da
  • Monoisotopic mass792.429626 Da
  • ChemSpider ID35014993

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(3R,6aR,6bR,10S,12aR,14aR)-6a,6b,9,9,12a-Pentamethyl-3-(3-methyl-2-buten-1-yl)-1,6-dioxo-4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-1H,3H-furo[3,4-c]phenanthro[2,1-e]oxepin-10-yl 6-O- ;(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3R,6aR,6bR,10S,12aR,14aR)-6a,6b,9,9,12a-Pentamethyl-3-(3-methyl-2-buten-1-yl)-1,6-dioxo-4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-1H,3H-furo[3,4-c]phenanthro[2,1-e]oxepin-10-yl-6-O- ;(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Furo[3,4-c]phenanthro[2,1-e]oxepin-1,6(4H)-dione, 10-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydro-6a,6b,9,9,12a-pent amethyl-3-(3-methyl-2-buten-1-yl)-, (3R,6aR,6bR,10S,12aR,14aR)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3R,6aR,6bR,10S,12aR,14aR)-6a,6b,9,9,12a-pentaméthyl-3-(3-méthyl-2-butén-1-yl)-1,6-dioxo-4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-h exadécahydro-1H,3H-furo[3,4-c]phénanthro[2,1-e]oxépin-10-yle [French] [ACD/IUPAC Name]
(1R,2R,7S,10R,14R,18R)-1,2,6,6,10-pentamethyl-18-(3-methylbut-2-en-1-yl)-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-17,21-dioxapentacyclo[12.8.0.0�,��.05,��.0�5,�?]docos-15(19)-
(1R,2R,7S,10R,14R,18R)-1,2,6,6,10-pentamethyl-18-(3-methylbut-2-en-1-yl)-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-17,21-dioxapentacyclo[12.8.0.0??,????.0?,???.0???,???]docos-15(19)-ene-16,22-dione
156980-54-0 [RN]
Mabioside C

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 923.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.5±6.0 kJ/mol
Flash Point: 273.4±27.8 °C
Index of Refraction: 1.597
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6896.39
ACD/KOC (pH 5.5): 19465.99
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6896.30
ACD/KOC (pH 7.4): 19465.74
Polar Surface Area: 211 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 589.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement