CAS No.81907-61-1,Ganoderic acid B Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81907-61-1
Name:	Ganoderic acid B

Formula:	C₃₀H₄₄O₇
Molecular Weight:	516.67
Synonyms:	(3beta,7beta,25R)-3,7-Dihydroxy-11,15,23-trioxo-lanost-8-en-26-oic acid;
Density:	1.226 g/cm³
Boiling Point:	688.965 °C at 760 mmHg
Flash Point:	384.441 °C
PSA:	128.97000
LogP:	4.13150

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Specification

The Ganoderic acid B, with the CAS registry number 81907-61-1, is also known as (3beta,7beta,25R)-3,7-Dihydroxy-11,15,23-trioxo-lanost-8-en-26-oic acid. This chemical's molecular formula is C₃₀H₄₄O₇ and molecular weight is 516.67. What's more, its IUPAC name is called (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-Dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid.

Physical properties about Ganoderic acid B are: (1)ACD/LogP: 1.684; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.75; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.71; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 128.97 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 137.21 cm³; (15)Molar Volume: 421.542 cm³; (16)Polarizability: 54.394×10^-24 cm³; (17)Surface Tension: 53.25 dyne/cm; (18)Density: 1.226 g/cm³; (19)Flash Point: 384.441 °C; (20)Enthalpy of Vaporization: 115.49 kJ/mol; (21)Boiling Point: 688.965 °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(O)C(C)CC(=O)C[C@H]([C@H]1CC(=O)[C@]2(/C3=C(\C(=O)C[C@]12C)[C@]4(C)[C@@H](C[C@@H]3O)C(C)(C)[C@@H](O)CC4)C)C
(2) InChI: InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1
(3) InChIKey: LWPLEHFGBRFRKI-BBFKVXDGSA-N