Cas no 110013-85-9 (Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)-)

Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)- structure
110013-85-9 structure
Product Name:Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)-
CAS No:110013-85-9
MF:C25H36O3
MW:384.55154800415
CID:157129
PubChem ID:6442878
Update Time:2025-04-19

Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)-
    • Ophiobolin I
    • Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10
    • Ophiobola-3,7,19-trien-5-one,14,18-epoxy-25-hydroxy-, (6a,18R)-
    • Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl
    • Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)- (9CI)
    • Spiro(dicyclopenta(a,d)cyclooctene-3(7H),2'(3'H)-furan)-7-one, 1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl)-, (3S-(3alpha(3'R*,5'S*),3aalpha,6aalpha,9abeta,10abeta))-
    • Ophiobola-3,7,19-trien-5-one, 14,18-epoxy-25-hydroxy-, (6alpha,18R)-
    • 110013-85-9
    • Inchi： 1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22+,23-,24+,25?/m0/s1
    • InChI Key： PWHAYWTWJLFKJT-VVUOBSBCSA-N
    • SMILES： O1[C@@H](/C=C(\C)/C)C[C@H](C)C21CC[C@]1(C)C[C@@H]3C(C)=CC([C@H]3C(CO)=CC[C@@H]21)=O |c:25|

Computed Properties

  • Exact Mass: 384.26644501g/mol
  • Monoisotopic Mass: 384.26644501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 756
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 46.5?2

Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)- Related Literature

Related Categories

110013-85-9 (Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan]-7-one,1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-,(2'S,3'S,3aR,5'R,6aR,9aS,10aR)-) Related Products

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