Basic information
- Name:
Dammar-24-ene-3,6,12,20-tetrol,(3b,6a,12b)-
- Superlist Name:
- Protopanaxatriol
- CAS No.:
34080-08-5
- Molecular Structure:
- Formula:
- C30H52O4
- Molecular Weight:
- 476.73
- Deleted CAS:
- 32773-56-1
- Synonyms:
- Dammar-24-ene-3b,6a,12b,20-tetrol, (20S)- (8CI);(20S)-Protopanaxatriol;20(S)-APPT;
- Density:
- 1.079 g/cm3
- Boiling Point:
- 590 °C at 760 mmHg
- Flash Point:
- 240.1 °C
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Chemistry
Molecular Structure of Protopanaxatriol (CAS No.34080-08-5):
Molecular Formula: C30H52O4
Molecular Weight: 476.7315
IUPAC Name: (3S,5R,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopent[aphenanthrene-3,6,12-triol
CAS No: 34080-08-5
H bond acceptors: 4
H bond donors: 4
Freely Rotating Bonds: 8
Polar Surface Area: 36.92 Å2
Index of Refraction: 1.54
Molar Refractivity: 138.63 cm3
Molar Volume: 441.4 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.079 g/cm3
Flash Point: 240.1 °C
Enthalpy of Vaporization: 101.05 kJ/mol
Boiling Point: 590 °C at 760 mmHg
Vapour Pressure: 2.23E-16 mmHg at 25°C
InChI: InChI=1/C30H52O4 /c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28-,29+,30-/m0/s1
InChIKey: SHCBCKBYTHZQGZ-PHFGEWBZBO
Std. InChI: InChI=1S/C30H52O4 /c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28-,29+,30-/m0/s1
Std. InChIKey: SHCBCKBYTHZQGZ-PHFGEWBZSA-N
Synonyms of Protopanaxatriol (CAS No.34080-08-5): Protopanaxtriol ; (20S)-5α-Dammar-24-ene-3β,6α,12β,20-tetrol ; s-Protopanaxatriol ; (3b,6a,12b)-Dammar-24-ene-3,6,12,20-tetrol ; Protopanaxatriol ; Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta)-
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