Cas no 76470-16-1 (Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI))

Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI) structure
76470-16-1 structure
Product Name:Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI)
CAS No:76470-16-1
MF:C22H30O6
MW:390.470007419586
CID:568971
PubChem ID:34174831
Update Time:2025-08-04

Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI)
    • Effusanin B
    • 4-BROMO-3'-FLUORO-4'-METHOXYBENZOPHENONE
    • HY-N9930
    • AKOS040761656
    • [(1S,2S,5R,8S,9S,10S,11R,15S)-9,10-Dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
    • CS-0214010
    • 76470-16-1
    • FS-7750
    • SCHEMBL16258004
    • CHEMBL1641880
    • Inchi: 1S/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14+,15+,16-,18+,20-,21+,22-/m1/s1
    • InChI Key: TZECSBJPAFKEQJ-FHEFCECDSA-N
    • SMILES: O1C[C@@]23[C@H](CCC(C)(C)[C@H]2[C@@H]([C@@]1([C@]12C(C(=C)[C@H](CC[C@@H]31)C2)=O)O)O)OC(C)=O

Computed Properties

  • Exact Mass: 390.20400
  • Monoisotopic Mass: 390.20423867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 788
  • 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: 1.8
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 93.06000
  • LogP: 1.97560

Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI) Pricemore >>

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