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Basic Information
CAS No.: 97230-47-2
Name: PIEFELTARRAENIN A
Molecular Structure:
Molecular Structure of 97230-47-2 (PIEFELTARRAENIN A)
Formula: C41H62O13
Molecular Weight: 762.928
Synonyms: (+)-PicfeltarraeninIA;NSC 694346;Picfeltarraenin IA;
Density: 1.34g/cm3
Melting Point: 186～187℃
Boiling Point: 861.5 °C at 760 mmHg
Flash Point: 255.3 °C
PSA: 201.67000
LogP: 2.17280
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     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0523-89999279

    Address:taizhou，jiangsu，china

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  • Piefeltarraenin IA

  • Casno:

    97230-47-2

    Piefeltarraenin IA

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    We have our own laboratory factory, familiar with the production process, preferential price and stock Package:20mg Application:Used in pharmaceutical industry, food industry, health industry, beauty industry and other industries

    北京谨明生物科技有限公司 联系电话: 15801484223;18511084608 联系传真: - Email: yvhfjjp@163.com 网址: www.chemicalbook.com/ShowSupplierProductsList19924/0.htm BOOK1

  • Beijing Jin Ming Biotechnology Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:15801484223;18511084608

    Address:Beijing

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  • Picfeltarraenin IA

  • Casno:

    97230-47-2

    Picfeltarraenin IA

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High purity Application:Screening the references, analyzing the expectant ingredients

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

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    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The Picfeltarraenin IA, with CAS registry number 97230-47-2, has the systematic name of (2R)-2-[(3R,8S,9R,10R,13R,14S,16R)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-2-methyl-furan-3-one. And the chemical formula of this chemical is C41H62O13.

Physical properties of Picfeltarraenin IA: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 13; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 135.67 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 194.82 cm3; (9)Molar Volume: 568.2 cm3; (10)Polarizability: 77.23×10-24cm3; (11)Surface Tension: 62.6 dyne/cm; (12)Enthalpy of Vaporization: 142.3 kJ/mol; (13)Vapour Pressure: 1.34E-34 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)O)O)O)O)O
(2)InChI: InChI=1/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-43,46-49H,11-13,15-17H2,1-9H3/t19?,21-,22-,23?,25+,28-,29?,30?,31?,32?,33?,34?,35?,36?,38+,39-,40+,41+/m1/s1
(3)InChIKey: WPXIIGGPWPYUSJ-YNOTVBMGBX
(4)Std. InChI: InChI=1S/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-43,46-49H,11-13,15-17H2,1-9H3/t19?,21-,22-,23?,25+,28-,29?,30?,31?,32?,33?,34?,35?,36?,38+,39-,40+,41+/m1/s1
(5)Std. InChIKey: WPXIIGGPWPYUSJ-YNOTVBMGSA-N