Cas no 60323-90-2 ((Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester)

(Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester structure
60323-90-2 structure
Product Name:(Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester
CAS No:60323-90-2
MF:C20H28O6
MW:364.432726860046
CID:528969
Update Time:2024-02-29

(Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoicacid, 2-methyl-, (3aR,4S,4aS,5S,8R,8aR,9aS)-dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-ylester, (2Z)-
    • (Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester
    • 2-Butenoicacid, 2-methyl-, (3aR,4S,4aS,5S,8R,8aR,9aS)-dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]
    • 2-Butenoicacid, 2-methyl-, dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-ylester, [3aR-[3aa,4a(Z),4aa,5b,8b,8ab,9ab]]-
    • Naphtho[2,3-b]furan, 2-butenoic acid deriv.
    • Tanapsin
    • CID 101967035
    • 2-Butenoic acid, 2-methyl-, (3aR,4S,4aS,5S,8R,8aR,9aS)-dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester, (2Z)-
    • [3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
    • Inchi： 1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6-/t12-,13+,14+,15-,16+,19-,20-/m0/s1
    • InChI Key： RDPOODRUMBKGIJ-PKVPYMSTSA-N
    • SMILES： O1C(C(=C)[C@@H]2[C@@H]1C[C@@]1(C)[C@@H](CC[C@@](C)([C@@H]1[C@H]2OC(/C(=C\C)/C)=O)O)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 682
  • XLogP3: 1.892
  • Topological Polar Surface Area: 93.1

(Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester Related Literature

Related Categories

60323-90-2 ((Z)-2-Methyl-2-butenoic acid (3aR)-2,3,3aα,4,4aα,5,6,7,8,8a,9,9aβ-dodecahydro-5β,8β-dihydroxy-5,8aβ-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4α-yl ester) Related Products

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