Basic information
- Name:
Kauran-18-oic acid, 16,17-dihydroxy-, (4α)-
- CAS No.:
3301-61-9
- Molecular Structure:
- Formula:
- C20H32O4
- Molecular Weight:
- 336.47
- Synonyms:
- ent-16beta,17-Dihydroxy-19-kauranoic acid;Kauran-18-oicacid, 16,17-dihydroxy- (7CI,8CI);1H-2,10a-Ethanophenanthrene, kauran-18-oicacid deriv.;(-)-16,17-Dihydroxy-16b-kauran-19-oic acid;16,17-Dihydroxy-16b-(-)-kauran-19-oic acid;16a,17-Hydroxy-(-)-kauran-19-oic acid;16b,17-Dihydroxy-ent-kauran-19-oicacid;ent-16,17-Dihydroxykauran-19-oic acid;ent-16b,17-Dihydroxykauran-19-oic acid;E-16α,17-Dihydroxykauran-19-oic acid;
- Density:
- 1.22 g/cm3
- Boiling Point:
- 505.6 °C at 760 mmHg
- Flash Point:
- 273.6 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The Kauran-18-oic acid, 16,17-dihydroxy-, (4α)-, with the CAS registry number 3301-61-9, is also known as ent-16beta,17-Dihydroxy-19-kauranoic acid. This chemical's molecular formula is C20H32O4 and molecular weight is 336.47. What's more, its systematic name is (5β,8α,9β,10α,13α,16β)-16,17-dihydroxykauran-18-oic acid.
Physical properties of Kauran-18-oic acid, 16,17-dihydroxy-, (4α)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 91.17 cm3; (9)Molar Volume: 274.9 cm3; (10)Polarizability: 36.14×10-24cm3; (11)Surface Tension: 54.9 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 273.6 °C; (14)Enthalpy of Vaporization: 89.26 kJ/mol; (15)Boiling Point: 505.6 °C at 760 mmHg; (16)Vapour Pressure: 2.44E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)C(=O)O
(2)Isomeric SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C(=O)O
(3)InChI: InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1
(4)InChIKey: MRBLTWPEPGRXQN-INIPNLRTSA-N