Cas no 30951-15-6 ((1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid)

(1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid structure
30951-15-6 structure
Product Name:(1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid
CAS No:30951-15-6
MF:C20H30O2
MW:302.451006412506
CID:321579
Update Time:2024-02-29

(1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,4bR,7R,10aS)-
    • (1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid
    • 1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,[1R-(1a,4aa,4bb,7b,10ab)]-
    • 5b,9b,10a-Podocarp-7-en-15-oic acid, 13a-methyl-13-vinyl- (8CI)
    • Oblongifolic acid
    • CID 101324732
    • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aS,4bR,7R,10aS)-
    • Inchi： 1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20-/m1/s1
    • InChI Key： MXYATHGRPJZBNA-LWASTNQWSA-N
    • SMILES： OC([C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C=C)(C)CC3=CC[C@@H]21)=O

Computed Properties

  • Exact Mass: 302.225
  • Monoisotopic Mass: 302.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3

(1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid Related Literature

Related Categories

30951-15-6 ((1R)-7β-Vinyl-1,2,3,4,4a,4bβ,5,6,7,8,10,10aβ-dodecahydro-1,4aα,7-trimethyl-1α-phenanthrenecarboxylic acid) Related Products

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