Scalarane sesterterpenoids

Description:

Sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.

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  1. Taraxeryl acetate
    CAS: 2189-80-2 Formula: C32H52O2 Molecular Weight: 468.75
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: T664637
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    Technical Identifiers
    IUPAC Name
    [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
    SMILES
    CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C)(C)C)C)C
    InChIKey
    YWJGYBXHXATAQY-BOTWUFHUSA-N
    InChI
    1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/tshow more
    Synonyms
    [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradeca...
  2. Taraxerone
    CAS: 514-07-8 PubChem CID: 92785 Formula: C30H48O Molecular Weight: 424.70
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: T650050
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    Technical Identifiers
    IUPAC Name
    (4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
    SMILES
    CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
    InChIKey
    DBCAVZSSFGIHQZ-YLAYQGCQSA-N
    InChI
    1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+show more
    Synonyms
    3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-...
  3. Taraxerol
    CAS: 127-22-0 PubChem CID: 92097 Formula: C30H50O Molecular Weight: 426.72
    Out of Stock Item #: T651169
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    Technical Identifiers
    IUPAC Name
    (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
    SMILES
    CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
    InChIKey
    GGGUGZHBAOMSFJ-GADYQYKKSA-N
    InChI
    1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,show more
    Synonyms
    alnulin | TARAXEROL [MI] | DTXSID001026552 | 27-Norolean-14-en-3-ol, 13-methyl-, (3beta,13alpha)- | skimmiol | BDBM50...
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