Cas no 35470-76-9 ((1alpha,2beta,4aalpha,4bbeta,10beta)-10-formyl-2-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid)

(1alpha,2beta,4aalpha,4bbeta,10beta)-10-formyl-2-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid structure
35470-76-9 structure
Product Name:(1alpha,2beta,4aalpha,4bbeta,10beta)-10-formyl-2-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
CAS No:35470-76-9
MF:C20H28O4
MW:332.433926582336
CID:1471088
PubChem ID:443446
Update Time:2025-04-20

(1alpha,2beta,4aalpha,4bbeta,10beta)-10-formyl-2-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1alpha,2beta,4aalpha,4bbeta,10beta)-10-formyl-2-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
    • Gibberellin A14 aldehyde
    • Gibberellin A14-aldehyde
    • 35470-76-9
    • (1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
    • Q27110161
    • CHEBI:29589
    • (1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
    • 10beta-formyl-2beta-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
    • LMPR0104170010
    • DTXSID70332087
    • Inchi: 1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1
    • InChI Key: YMDYUWHAQBYOMU-HYAYUQHRSA-N
    • SMILES: [C@H]12[C@@]3(CC[C@@H]([C@]([C@H]3[C@H](C=O)[C@@]31CC([C@@H](C3)CC2)=C)(C(=O)O)C)O)C

Computed Properties

  • Exact Mass: 332.199
  • Monoisotopic Mass: 332.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 627
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.081
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.22
  • Boiling Point: 496.5°C at 760 mmHg
  • Flash Point: 268.2°C
  • Refractive Index: 1.575
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