Cas no 1182-87-2 (Peruvoside (90%))

Peruvoside (90%) structure
Peruvoside (90%) structure
Product Name:Peruvoside (90%)
CAS No:1182-87-2
MF:C30H44O9
MW:548.664970397949
CID:150432
PubChem ID:12314120
Update Time:2025-08-05

Peruvoside (90%) Chemical and Physical Properties

Names and Identifiers

    • Card-20(22)-enolide,3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-, (3b,5b)-
    • Peruvoside
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[
    • PERUVOSIDE(RG)
    • A-L-Thevetoside
    • Cannogenin
    • Cannogenin thevetoside
    • EINECS 214-659-9
    • Encordin
    • Peruvosid
    • Peruvoside from Thevetia neriifolia
    • DB13756
    • Q7171218
    • Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)-
    • Cannogenin alpha-L-thevetoside
    • 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide
    • DTXSID70881388
    • CHEBI:135825
    • 1182-87-2
    • HY-108016
    • CS-0027154
    • J-003726
    • UNII-CT36KGC6A6
    • CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-14-HYDROXY-19-OXO-, (3.BETA.,5.BETA.)-
    • (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide
    • SCHEMBL700735
    • CT36KGC6A6
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
    • Peruvoside (90%)
    • Cannogenin .alpha.-l-thevetoside
    • PERUVOSIDE [MI]
    • CHEMBL1075790
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
    • PERUVOSIDE [WHO-DD]
    • E88664
    • MLS002695970
    • SMR001562125
    • 3 beta,14 beta-dihydroxy-19-oxo-5 beta-card-20(22)-enolide-3 alpha-L-thevetoside
    • DTXCID501022650
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-10-carbaldehyde
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
    • Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-, (3ss,5ss)-; Peruvoside (6CI,7CI,8CI); (3ss,5ss)-3-[(6-Deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide; Cannogenin a-L-thevetoside; Encordin; Peruvosid
    • (3S,5R,8R,9S,10R,13R,14S,17R)-3-((2S,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthrene-10-carbaldehyde
    • MDL: MFCD00133752
    • Inchi: 1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1
    • InChI Key: PMTSPAGBAFCORP-HBUONDEYSA-N
    • SMILES: O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C=O)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1[C@H]([C@@H]([C@H]([C@H](C)O1)O)OC)O

Computed Properties

  • Exact Mass: 548.29900
  • Monoisotopic Mass: 548.299
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 5
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 132A^2

Experimental Properties

  • Density: 1.1277 (rough estimate)
  • Melting Point: 161-164°C
  • Boiling Point: 540.83°C (rough estimate)
  • Flash Point: 236.2°C
  • Refractive Index: 1.5500 (estimate)
  • PSA: 131.75000
  • LogP: 2.28920
  • Specific Rotation: D22 -71.7° (c = 1.54 in methanol)

Peruvoside (90%) Security Information

  • WGK Germany:3
  • Hazard Category Code: 23/24/25
  • Safety Instruction: 36/37/39-45
  • RTECS:FH4915000
  • Hazardous Material Identification: T
  • Storage Condition:2-8°C

Peruvoside (90%) Pricemore >>

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