ChemSpider 2D Image | (18'Z,20'Z)-6',12'-Dihydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-11'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,18,20]triene]-11',22'-dione | C29H40O10

(18'Z,20'Z)-6',12'-Dihydroxy-17'-(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[4,18,20]triene]-11',22'-dione

  • Molecular FormulaC29H40O10
  • Average mass548.622 Da
  • Monoisotopic mass548.262146 Da
  • ChemSpider ID4585022

  • 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-17'-(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[4,18,20]triene]-11',22'-dione [ACD/IUPAC Name]
87583-91-3 [RN]
8B-Hydroxyroridin A
B3
B7
Baccharisol
BACCHARISOL (B800157K388)
ISOBACCHARISOL (B800157K384)
Isobaccharisol, 7'-deoxo-8-hydroxy-7'-(1-hydroxyethyl)-
RORIDIN A, HYDROXY-, 8B-

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

AIDS129092 [DBID]
AIDS-129092 [DBID]
NSC 328167 [DBID]
NSC269755 [DBID]
NSC269759 [DBID]
NSC328167 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±6.0 kJ/mol
Flash Point: 259.2±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.61
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 56.65
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 56.65
Polar Surface Area: 144 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

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