Cas no 771493-42-6 (6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid)

6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid structure
771493-42-6 structure
Product Name:6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid
CAS No:771493-42-6
MF:C20H28O5
MW:348.433326721191
CID:1080701
PubChem ID:11268070
Update Time:2025-04-20

6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid Chemical and Physical Properties

Names and Identifiers

    • 6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid
    • 6α-Hydroxycleroda-3,13-dien-16,
    • 6alpha-Hydroxycleroda-3,13-dien-16,15-olid-18-oic acid
    • 6α-Hydroxycleroda-3,13-dien- 16,
    • 771493-42-6
    • CS-0103777
    • A-Hydroxy-5
    • A,9
    • A,8
    • AKOS040761222
    • A-cleroda-3,13-dien-16,15-olid-18-oic acid
    • HY-N7170
    • (-)-6
    • A,10
    • FS-8619
    • (4aR,5S,6R,8S,8aR)-8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
    • AKOS032962551
    • (4aR,5S,6R,8S,8aR)-8-hydroxy-5,6,8a-trimethyl-5-[2-(2-oxo-5H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
    • Inchi: 1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m1/s1
    • InChI Key: VIZZFMPBFLWOFS-JJOBAADDSA-N
    • SMILES: O[C@H]1C[C@@H](C)[C@](C)(CCC2C(=O)OCC=2)[C@H]2CCC=C(C(=O)O)[C@@]21C

Computed Properties

  • Exact Mass: 348.19400
  • Monoisotopic Mass: 348.19367399g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 649
  • 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
  • XLogP3: 3.5
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 549.8±35.0 °C at 760 mmHg
  • Flash Point: 193.4±19.4 °C
  • PSA: 83.83000
  • LogP: 3.08410
  • Vapor Pressure: 0.0±3.4 mmHg at 25°C

6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid Security Information

6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid Pricemore >>

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