loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Euphorbia Factor Ti2, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Euphorbia Factor Ti2

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 64180-96-7, 4-deoxyphorbol 12-acetate 13-(2z,4e,6e)-deca-2,4,6-trienoate, (1ar,1bs,4as,7ar,7br,8r,9r,9as)-9-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2z,4e,6e)-deca-2,4,6-trienoate, Chebi:4941, Dtxsid00415110, C09091
    Molecular Formula
    C32H42O7
    Molecular Weight
    538.7  g/mol
    InChI Key
    HZIPPZZEKIZPCY-PYANXVGJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2R,6S,10S,11R,13S,14R,15R)-14-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E,6E)-deca-2,4,6-trienoate
    2.1.2 InChI
    InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24-,25+,28-,29-,31+,32-/m1/s1
    2.1.3 InChI Key
    HZIPPZZEKIZPCY-PYANXVGJSA-N
    2.1.4 Canonical SMILES
    CCCC=CC=CC=CC(=O)OC12C(C1(C)C)C3C=C(CC4C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)CO
    2.1.5 Isomeric SMILES
    CCC/C=C/C=C/C=C\C(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@H]4[C@H]([C@]3([C@@H]([C@H]2OC(=O)C)C)O)C=C(C4=O)C)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 64180-96-7

    2. 4-deoxyphorbol 12-acetate 13-(2z,4e,6e)-deca-2,4,6-trienoate

    3. (1ar,1bs,4as,7ar,7br,8r,9r,9as)-9-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2z,4e,6e)-deca-2,4,6-trienoate

    4. Chebi:4941

    5. Dtxsid00415110

    6. C09091

    7. Q27106576

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 538.7 g/mol
    Molecular Formula C32H42O7
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass538.29305367 g/mol
    Monoisotopic Mass538.29305367 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY