CAS No.14351-29-2,dammarenediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14351-29-2
Name:	dammarenediol
Article Data:	14

Formula:	C₃₀H₅₂O₂
Molecular Weight:	444.742
Synonyms:	Dammar-24-ene-3b,20-diol, (20S)- (8CI);Dammarenediol II (6CI);(+)-Dammarenediol II;(20S)-Dammar-24-ene-3b,20-diol;20S-Dammarenediol;20S-Dammarenediol II;Dammarenediol;
Density:	0.993 g/cm³
Melting Point:	130-133 °C
Boiling Point:	529.4 °C at 760 mmHg
Flash Point:	212 °C
PSA:	40.46000
LogP:	7.52980

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Specification

The Dammar-24-ene-3,20-diol,(3β)- is an organic compound with the formula C₃₀H₅₂O₂. The IUPAC name of this chemical is (3S,5R,8R,9R,10R,14R)-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-cyclopenta[a]phenanthren-3-ol. With the CAS registry number 14351-29-2, it is also named as (3β)-dammar-24-ene-3,20-diol. Besides, its molecular weight is 444.7327.

Physical properties about Dammar-24-ene-3,20-diol,(3β)- are: (1)ACD/LogP: 9.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.35; (4)ACD/LogD (pH 7.4): 9.35; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2907789.5; (8)ACD/KOC (pH 7.4): 2907789.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 135.45 cm³; (15)Molar Volume: 447.4 cm³; (16)Polarizability: 53.69×10^-24 cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.993 g/cm³; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 92.55 kJ/mol; (21)Boiling Point: 529.4 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
(2)InChIKey: NLHQJXWYMZLQJY-TXNIMPHEBB
(3)Std. InChI: InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
(4)Std. InChIKey: NLHQJXWYMZLQJY-TXNIMPHESA-N