Cas no 1618-78-6 (Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)-)

Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)- structure
1618-78-6 structure
Product Name:Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)-
CAS No:1618-78-6
MF:C15H18O3
MW:246.301624774933
CID:161154
PubChem ID:7061081
Update Time:2025-04-19

Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)- Chemical and Physical Properties

Names and Identifiers

    • Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)-
    • (3S)-3β,5aα,9-Trimethyl-2,3,3aβ,4,5,5a,8,9bβ-octahydronaphtho[1,2-b]furan-2,8-dione
    • 6,11-α(H)-Santonin
    • 6-Epi-a-santonin
    • a-Episantonin
    • Eudesma-1,4-dien-12-oicacid, 6b-hydroxy-3-oxo-, g-lactone, (11S)- (8CI)
    • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-,[3S-(3a,3aa,5ab,9ba)]-
    • Santonin C
    • 6,11-alpha(H)-Santonin
    • DTXSID40859397
    • CHEMBL4228721
    • 1618-78-6
    • 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione #
    • NSC-240834
    • 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione
    • NSC240831
    • 6-.alpha.(H)-Santonin
    • (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
    • CHEMBL226231
    • SY231845
    • CHEBI:181343
    • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.alpha.)]-
    • 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzouran-2,8-dione
    • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3.alpha.,3a.beta.,5a.alpha.,9b.alpha.)]-
    • PD014682
    • Eudesma-1,4-dien-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11R)-
    • NSC-240831
    • XJHDMGJURBVLLE-UHFFFAOYSA-N
    • SCHEMBL707621
    • FT-0603411
    • NSC311146
    • 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • AKOS017258743
    • NSC240834
    • AKOS000121153
    • Z199056930
    • Eudesma-1,4-dien-12-oic acid, 6.beta.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-
    • (3S)-3beta,5aalpha,9-Trimethyl-2,3,3abeta,4,5,5a,8,9bbeta-octahydronaphtho[1,2-b]furan-2,8-dione
    • NSC-311146
    • AS-55980
    • (3S,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
    • Inchi： 1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13+,15-/m0/s1
    • InChI Key： XJHDMGJURBVLLE-XJFVKYJOSA-N
    • SMILES： O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@H]12)=O)C)=O

Computed Properties

  • Exact Mass: 246.12564
  • Monoisotopic Mass: 246.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)- Related Literature

Related Categories

1618-78-6 (Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bR)-) Related Products

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