Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | (3beta)-3-[(6-Deoxy-3,4-O-isopropylidene-beta-D-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid | C39H60O9

(3β)-3-[(6-Deoxy-3,4-O-isopropylidene-β-D-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID28424468

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β)-3-[(6-Deoxy-3,4-O-isopropylidene-β-D-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid [ACD/IUPAC Name]
(3β)-3-[(6-Desoxy-3,4-O-isopropyliden-β-D-galactopyranosyl)oxy]urs-12-en-27,28-disäure [German] [ACD/IUPAC Name]
182132-59-8 [RN]
Acide (3β)-3-[(6-désoxy-3,4-O-isopropylidène-β-D-galactopyranosyl)oxy]urs-12-ène-27,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-
Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)- [ACD/Index Name]
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((3aS,4R,6R,7R,7aR)-7-hydroxy-2,2,4-trimethyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid
(1S,2R,4AS,6AR,6BR,8AR,10S,12AR,12BR,14BS)-10-{[(3AS,4R,6R,7R,7AR)-7-HYDROXY-2,2,4-TRIMETHYL-HEXAHYDRO-[1,3]DIOXOLO[4,5-C]PYRAN-6-YL]OXY}-1,2,6B,9,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A,6A-DICARBOXYLIC ACID
(1S,2R,4AS,6AR,6BR,8AR,10S,12AR,12BR,14BS)-10-{[(3AS,4R,6R,7R,7AR)-7-HYDROXY-2,2,4-TRIMETHYL-TETRAHYDRO-3AH-[1,3]DIOXOLO[4,5-C]PYRAN-6-YL]OXY}-1,2,6B,9,9,12A-HEXAMETHYL-2,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDRO-1H-PICENE-4A,6A-DICARBOXYLIC ACID
[182132-59-8] [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 760.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.8 mmHg at 25°C
    Enthalpy of Vaporization: 126.3±6.0 kJ/mol
    Flash Point: 227.0±26.4 °C
    Index of Refraction: 1.575
    Molar Refractivity: 179.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 9.79
    ACD/LogD (pH 5.5): 7.09
    ACD/BCF (pH 5.5): 44525.68
    ACD/KOC (pH 5.5): 18259.00
    ACD/LogD (pH 7.4): 4.53
    ACD/BCF (pH 7.4): 121.03
    ACD/KOC (pH 7.4): 49.63
    Polar Surface Area: 132 Å2
    Polarizability: 71.2±0.5 10-24cm3
    Surface Tension: 53.1±5.0 dyne/cm
    Molar Volume: 543.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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