Lathyrol supplier | CasNO.34420-19-4

Name
Lathyrol
EINECS
CAS No. 34420-19-4
Article Data7
CAS DataBase
Density 1.182 g/cm³
Solubility
Melting Point
Formula C₂₀H₃₀O₄
Boiling Point 503.537 °C at 760 mmHg
Molecular Weight 334.456
Flash Point 272.422 °C
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Molecular Structure
Hazard Symbols
Synonyms 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 1, 1α, 4α, 5, 6, 7, 7α, 8, 9, 10, 11, 11α-dodecahydro-4α, 7, 8-trihydroxy-1, 1, 3, 6-tetramethyl-9-methylene-, [1αR-(1αR*, 2E, 4αR*, 6S*, 7S*, 7αR*, 8R*, 11αS*)]-;(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-Dodecahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one;
PSA 77.76000
LogP 2.23290

Lathyrol Specification

The Lathyrol, with the CAS registry number of 34420-19-4, is also known as 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 1, 1α, 4α, 5, 6, 7, 7α, 8, 9, 10, 11, 11α-dodecahydro-4α, 7, 8-trihydroxy-1, 1, 3, 6-tetramethyl-9-methylene-, [1αR-(1αR*, 2E, 4αR*, 6S*, 7S*, 7αR*, 8R*, 11αS*)]-. This chemical's molecular formula is C₂₀H₃₀O₄ and molecular weight is 334.4498. What's more, its systematic name is called (1αR, 2E, 4αR, 6S, 7S, 7αR, 8R, 11αS)-4α, 7, 8-trihydroxy-1, 1, 3, 6-tetramethyl-9-methylidene-1, 1α, 4α, 5, 6, 7, 7α, 8, 9, 10, 11, 11α-dodecahydro-4H-cyclopenta[a]cyclopropa[f][11]annulen-4-one.

Physical properties about Lathyrol are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.91; (6)ACD/BCF (pH 7.4): 64.91; (7)ACD/KOC (pH 5.5): 690; (8)ACD/KOC (pH 7.4): 689.99; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 92.34 cm³; (15)Molar Volume: 283 cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 272.4 °C; (19)Enthalpy of Vaporization: 88.99 kJ/mol; (20)Boiling Point: 503.5 °C at 760 mmHg; (21)Vapour Pressure: 3.01E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C\[C@@H]3[C@H](CCC(=C)/[C@H](O)[C@H]2[C@@H](O)[C@@H](C)C[C@]12O)C3(C)C)C
(2) InChI: InChI=1/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16-,17-,20+/m0/s1
(3) InChIKey: SDBITTRHSROXCY-SVSKDHLKBA

Product Name

Lathyrol

Lathyrol Specification

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