Cas no 136051-63-3 (2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)-)

2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)- structure
136051-63-3 structure
Product Name:2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)-
CAS No:136051-63-3
MF:C26H36O10
MW:508.558049201965
CID:166038
PubChem ID:10097774
Update Time:2025-04-19

2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)-
    • [(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
    • 2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah...
    • 2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trime
    • nortrilobolide
    • (3S,3aR,6R,6aS,8R,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate
    • 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-8-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,8alpha(Z),9balpha))-
    • 136051-63-3
    • (-)-Nortrilobolide
    • [(3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
    • SCHEMBL17380888
    • Inchi: 1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18-,21-,24-,25+,26+/m0/s1
    • InChI Key: WEJWYRUDUWBNIB-YQMCDBNQSA-N
    • SMILES: O1C([C@](C)([C@]2([C@H](C[C@@](C)([C@H]3C[C@H](C(C)=C3[C@H]12)OC(/C(=C\C)/C)=O)OC(C)=O)OC(CCC)=O)O)O)=O

Computed Properties

  • Exact Mass: 508.23084734g/mol
  • Monoisotopic Mass: 508.23084734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 9
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 146?2

2-Butenoic acid,2-methyl-,(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-ylester, (2Z)- Related Literature

Recommended suppliers
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD