Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Description:

Sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

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  1. Curcolonol
    CAS: 217817-09-9 PubChem CID: 10683031 Formula: C15H20O4 Molecular Weight: 264.32
    Out of Stock Item #: C649691
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    Technical Identifiers
    IUPAC Name
    (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one
    SMILES
    CC1=COC2=C1C(=O)C3C(CCC(C3(C2)C)O)(C)O
    InChIKey
    QXEXMTIZXNCRJO-QPKOPYBWSA-N
    InChI
    1S/C15H20O4/c1-8-7-19-9-6-14(2)10(16)4-5-15(3,18)13(14)12(17)11(8)9/h7,10,13,16,18H,4-6H2,1-3H3/t10-,13-,14+,15-/m1/s1
    Synonyms
    (4aR,5R,8R,8aR)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[][1]benzouran-4-one | (4aR,5R,8R,8aR)-5,8...
  2. Atractylon
    CAS: 6989-21-5 Formula: C15H20O Molecular Weight: 216.32
    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 #: A304434
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    Technical Identifiers
    IUPAC Name
    (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
    SMILES
    CC1=COC2=C1CC3C(=C)CCCC3(C2)C
    InChIKey
    TYPSVDGIQAOBAD-DZGCQCFKSA-N
    InChI
    1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
    Synonyms
    SCHEMBL19082783 | (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran | s9158 | Atracty...
  3. (+)-Nootkatone
    CAS: 4674-50-4 Formula: C15H22O Molecular Weight: 218.34
    10mM in DMSO
    In Stock Item #: N424097
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    Technical Identifiers
    IUPAC Name
    (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    SMILES
    CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
    InChIKey
    WTOYNNBCKUYIKC-JMSVASOKSA-N
    InChI
    1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
    Synonyms
    (+)-Nootkatone, technical, >=85% (GC) | Nootkanone | UNII-3K3OKV2A5A | 4Betah,5alpha-eremophila-1(10),11-dien-2-one |...
  4. (+)-Valencene
    CAS: 4630-07-3 PubChem CID: 9855795 Formula: C15H24 Molecular Weight: 204.35
    In Stock Item #: V332824
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    Technical Identifiers
    IUPAC Name
    (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
    SMILES
    CC1CCC=C2C1(CC(CC2)C(=C)C)C
    InChIKey
    QEBNYNLSCGVZOH-NFAWXSAZSA-N
    InChI
    1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
    Synonyms
    (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene | EINECS 225-047-6 | UNII-96H21P91IG | ...
  5. (+)-Nootkatone
    CAS: 4674-50-4 EC Number: 225-124-4 Formula: C15H22O Molecular Weight: 218.34
    In Stock Item #: N159076
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    SMILES
    CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
    InChIKey
    WTOYNNBCKUYIKC-JMSVASOKSA-N
    InChI
    1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
    Synonyms
    (+)-Nootkatone, technical, >=85% (GC) | Nootkanone | UNII-3K3OKV2A5A | 4Betah,5alpha-eremophila-1(10),11-dien-2-one |...
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