Stemodin supplier | CasNO.41943-79-7

Name
Stemodin
EINECS
CAS No. 41943-79-7
Article Data3
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₂₀H₃₄O₂
Boiling Point 416.873 °C at 760 mmHg
Molecular Weight 306.489
Flash Point 183.756 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9,15-Cyclo-C,18-dinor-14,15-secoandrostane-2,17-diol, 4,4,17-trimethyl-, (2alpha,5alpha,9beta,13alpha,17beta)-;8,11a-Methano-11aH-cyclohepta[a]naphthalene- 2,9-diol,tetradecahydro-4,4,9,11b-tetramethyl-,(2S,4aS,6aS,8S,9S,11aR,11bS)-;(2S,4S,7S,10S,12R,13S)-2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,13-diol;
PSA 40.46000
LogP 4.14100

Stemodin Specification

The Stemodin, with the CAS registry number 41943-79-7, is also known as 8,11a-Methano-11aH-cyclohepta[a]naphthalene-2,9-diol, tetradecahydro-4,4,9,11b-tetramethyl-, (2S,4aS,6aS,8S,9S,11aR,11bS)-. This chemical's molecular formula is C₂₀H₃₄O₂ and molecular weight is 306.48. What's more, its systematic name is (2S,4S,7S,10S,12R,13S)-2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,13-diol. It is isolated from Stemodia maritima which is a major stemodane diterpene.

Physical properties of Stemodin are: (1)ACD/LogP: 4.681; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2126.74; (6)ACD/BCF (pH 7.4): 2126.74; (7)ACD/KOC (pH 5.5): 8386.39; (8)ACD/KOC (pH 7.4): 8386.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 89.495 cm³; (15)Molar Volume: 281.284 cm³; (16)Polarizability: 35.479×10^-24cm³; (17)Surface Tension: 43.9480018615723 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 183.756 °C; (20)Enthalpy of Vaporization: 77.418 kJ/mol; (21)Boiling Point: 416.873 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@]2(C)CCC41[C@H](C[C@@H]2C1)CC[C@H]3C(C[C@H](O)C[C@@]34C)(C)C
(2)Std. InChI: InChI=1S/C20H34O2/c1-17(2)11-15(21)12-18(3)16(17)6-5-13-9-14-10-20(13,18)8-7-19(14,4)22/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15-,16-,18-,19-,20?/m0/s1
(3)Std. InChIKey: GGWGQPNTGAIJMS-GGMYNTIGSA-N

Product Name

Stemodin

Stemodin Specification

Related Products

Hot Products