Kauran-18-oic acid, 16,17-dihydroxy-, (4α)- supplier

Name
ent-16beta,17-Dihydroxy-19-kauraic acid
EINECS
CAS No. 3301-61-9
Article Data7
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₂₀H₃₂O₄
Boiling Point 505.6 °C at 760 mmHg
Molecular Weight 336.472
Flash Point 273.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 77.76000
LogP 3.20730

Kauran-18-oic acid, 16,17-dihydroxy-, (4α)- 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

Product Name

ent-16beta,17-Dihydroxy-19-kauraic acid

Kauran-18-oic acid, 16,17-dihydroxy-, (4α)- Specification

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