Cas no 18069-14-2 (Polypodine b)

Polypodine b structure
Polypodine b structure
Product Name:Polypodine b
CAS No:18069-14-2
MF:C27H44O8
MW:496.633469581604
CID:158823
PubChem ID:441833
Update Time:2025-04-19

Polypodine b Chemical and Physical Properties

Names and Identifiers

    • Cholest-7-en-6-one,2,3,5,14,20,22,25-heptahydroxy-, (2b,3b,5b,22R)-
    • POLYPODINE B
    • polypodin B
    • Polypodine
    • 2beta,3beta,5beta,14,20,22R,25-Heptahydroxycholest-7-en-6-one
    • Ajugasterone A
    • Polypodyne B
    • Hydroxyecdysterone
    • 5beta-Hydroxyecdysterone
    • Polypodin
    • polipodin b
    • LMST01010198
    • C08834
    • Q27103737
    • CS-0107389
    • DTXSID501044191
    • (2beta,3beta,5beta,22R)-2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one
    • Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2beta,3beta,5beta,22R)-
    • BDBM50480248
    • HY-129671
    • CHEBI:28485
    • (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
    • 5,20-Dihydroxyecdysone
    • 18069-14-2
    • CHEMBL502028
    • AKOS040762214
    • Rapisterone D
    • DA-66803
    • Polypodine b
    • Inchi: 1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
    • InChI Key: GMFLGNRCCFYOKL-ACCCYTKYSA-N
    • SMILES: O[C@@]12CC[C@H]([C@](C)([C@@H](CCC(C)(C)O)O)O)[C@@]1(C)CC[C@H]1C2=CC([C@@]2(C[C@H]([C@H](C[C@]12C)O)O)O)=O

Computed Properties

  • Exact Mass: 496.30400
  • Monoisotopic Mass: 496.30361836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 5
  • Complexity: 917
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 159
  • XLogP3: -0.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 732.7±60.0 °C at 760 mmHg
  • Flash Point: 410.8±29.4 °C
  • PSA: 158.68000
  • LogP: 0.96890
  • Vapor Pressure: 0.0±5.4 mmHg at 25°C

Polypodine b Security Information

Polypodine b Pricemore >>

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