Name: FRIEDELAN-3BETA-OL
SKU: 16844-71-6

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Basic Information

Molecular Structure:
CAS No.:	16844-71-6
Name:	FRIEDELAN-3BETA-OL
Article Data:	42

Formula:	C₃₀H₅₂O
Molecular Weight:	428.742
Synonyms:	D:A-Friedooleanan-3-ol,(3b)-;D:A-Friedooleanan-3b-ol (7CI,8CI);3-Epifriedelinol;3-epi-Friedanol;3b-Hydroxyfriedelane;Epifriedelanol;Epifriedelinol;Friedelan-3b-ol;Friedelin-3b-ol;Longan triterpane A;epi-Friedelanol;b-Friedelinol;
Density:	0.966 g/cm³
Melting Point:	279-283 °C(Solv: chloroform (67-66-3))
Boiling Point:	478.3 °C at 760 mmHg
Flash Point:	199.6 °C
PSA:	20.23000
LogP:	8.24880

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Specification

The Epifriedelanol with the CAS number 16844-71-6 is also called 3b-Hydroxyfriedelane. The IUPAC name is (3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol. Its molecular formula is C₃₀H₅₂O. The product category is Miscellaneous Natural Products.

The properties of the Epifriedelanol are: (1)ACD/LogP: 11.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.45; (4)ACD/LogD (pH 7.4): 11.45; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 132.33 cm³; (15)Molar Volume: 443.4 cm³; (16)Polarizability: 52.46×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Enthalpy of Vaporization: 85.56 kJ/mol; (19)Vapour Pressure: 3.71×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]5CC[C@@H]1[C@](C)(CC[C@H]2[C@@]1(C)CC[C@@]3([C@]2(C)CC[C@]4(C)[C@H]3CC(C)(C)CC4)C)[C@H]5C
(2)InChI: InChI=1/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
(3)InChIKey: XCDQFROEGGNAER-PFOIMGGJBV