Cas no 1259-86-5 ((+)-Glaucarubinone)

(+)-Glaucarubinone structure
(+)-Glaucarubinone structure
Product Name:(+)-Glaucarubinone
CAS No:1259-86-5
MF:C25H34O10
MW:494.53
CID:148960
PubChem ID:441796
Update Time:2025-04-28

(+)-Glaucarubinone Chemical and Physical Properties

Names and Identifiers

    • Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12-trihydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1b,11b,12a,15b)- (9CI)
    • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b,11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1,11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione
    • glaucarubinone
    • (+)-Glaucarubinone
    • MLS002703011
    • Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,11.beta.,12.alpha.,15.beta.(S)]-
    • NSC 277286
    • SCHEMBL1276887
    • DTXSID201317402
    • Butyric acid, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b,11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1,11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione
    • Butyric acid, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione
    • AC1L9BOD
    • [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
    • CHEBI:5371
    • NCI60_000722
    • C08763
    • NSC-132791
    • CHEMBL458347
    • (S)-(1R,2R,3R,3aS,3a1S,4R,6aR,7aS,11S,11aS,11bR)-1,2,11-Trihydroxy-3,8,11a-trimethyl-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-1,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl 2-hydroxy-2-methylbutanoate
    • Q27106736
    • NSC132791
    • Neuro_000064
    • SMR001566819
    • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, {[1.beta.,} 11.beta.,12.alpha.,15.beta.(S)]-
    • (trihydroxy-trimethyl-dioxo-[?]yl) 2-hydroxy-2-methyl-butanoate
    • NSC-277286
    • NSC277286
    • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b, 11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1, {11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione}
    • CHEMBL1728992
    • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta., 11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1, {11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,} 6a.beta.H)-dione
    • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,11.beta.,12.alpha.,15.beta.(S)]-
    • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione
    • Inchi: 1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
    • InChI Key: WRBGCYVAJRRQKP-STDAJNJZSA-N
    • SMILES: O1C[C@@]23[C@H]4C[C@H]5C(C)=CC([C@H]([C@]5(C)[C@H]2[C@@]1([C@@H]([C@H](C)[C@@H]3[C@H](C(=O)O4)OC([C@](C)(CC)O)=O)O)O)O)=O

Computed Properties

  • Exact Mass: 494.21500
  • Monoisotopic Mass: 494.215
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 4
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 160A^2
  • XLogP3: 0.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.44
  • Boiling Point: 714.1°Cat760mmHg
  • Flash Point: 240.7°C
  • Refractive Index: 1.611
  • PSA: 159.82000
  • LogP: -0.15110

(+)-Glaucarubinone Pricemore >>

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