Cas no 24205-61-6 ((3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid)

(3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid structure
24205-61-6 structure
Product Name:(3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid
CAS No:24205-61-6
MF:C15H22O5
MW:282.332185268402
CID:278987
Update Time:2024-02-29

(3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-3a,7-Methanoazulene-6-carboxylicacid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-3,8-bis(hydroxymethyl)-8-methyl-,(3S,3aS,4S,7R,8S,8aS)- (9CI)
    • (3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid
    • 1H-3a,7-Methanoazulene-6-carboxylicacid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-3,8-bis(hydroxymethyl)-8-methyl-,(3S,3aS,4S,7R,8S,8
    • (+)-Epilaksholic acid
    • 1H-3a,7-Methanoazulene-6-carboxylicacid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-3,8-bis(hydroxymethyl)-8-methyl-, [3S-(3a,3aa,4b,7a,8b,8ab)]-
    • 2bH-Cedr-8-en-15-oic acid, 10b,12,13-trihydroxy- (8CI)
    • Epilaksholic acid (7CI)
    • Epilaksholic acid
    • CID 101297645
    • 1H-3a,7-Methanoazulene-6-carboxylic acid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-3,8-bis(hydroxymethyl)-8-methyl-, (3S,3aS,4S,7R,8S,8aS)-
    • Inchi： 1S/C15H22O5/c1-14(7-17)10-5-15(8(6-16)2-3-11(14)15)12(18)4-9(10)13(19)20/h4,8,10-12,16-18H,2-3,5-7H2,1H3,(H,19,20)/t8-,10+,11+,12+,14-,15-/m1/s1
    • InChI Key： VVTXGLJQEFDCQD-HNVNEDHRSA-N
    • SMILES： O[C@H]1C=C(C(=O)O)[C@@H]2C[C@@]31[C@@H](CO)CC[C@H]3[C@]2(C)CO

Computed Properties

  • Exact Mass: 282.147
  • Monoisotopic Mass: 282.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 473
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98

(3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid Related Literature

Related Categories

24205-61-6 ((3S)-2,3,4,7,8,8aβ-Hexahydro-4β-hydroxy-3,8β-bis(hydroxymethyl)-8-methyl-1H-3aα,7α-methanoazulene-6-carboxylic acid) Related Products

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