Cas no 113021-53-7 (2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-)

2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy- structure
113021-53-7 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-
CAS No:113021-53-7
MF:C21H29NO3
MW:343.459866285324
CID:206601
PubChem ID:3081931
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-
    • 2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydr
    • 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-5-amino-4-hydroxycyclohexa-3,5-diene-1,2-dione
    • 3-[[(1S,8aβ)-Decahydro-1,2α,4aα-trimethyl-5-methylenenaphthalen]-1β-ylmethyl]-2-hydroxy-5-amino-2,5-cyclohexadiene-1,4-dione
    • Smenospongine
    • 5-Amino-4-hydroxy-3-[(1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl)methyl]cyclohexa-3,5-diene-1,2-dione
    • DTXSID20920978
    • 113021-53-7
    • 2,5-Cyclohexadiene-1,4-dione, 5-amino-3-(((1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-2-hydroxy
    • CHEMBL3309304
    • SCHEMBL20969114
    • 3-[[(1S,8abeta)-Decahydro-1,2alpha,4aalpha-trimethyl-5-methylenenaphthalen]-1beta-ylmethyl]-2-hydroxy-5-amino-2,5-
    • 5-epi-Smenospongine
    • 287967-28-6
    • Inchi： 1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,24H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
    • InChI Key： OBQPWRJUZHGREQ-NUATZEMDSA-N
    • SMILES： OC1C(=CC(C(C=1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=C)CCC[C@@H]12)=O)=O)N

Computed Properties

  • Exact Mass: 343.215
  • Monoisotopic Mass: 343.215
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 717
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 80.4?2

Experimental Properties

  • Density: 1.16
  • Boiling Point: 412.1°Cat760mmHg
  • Flash Point: 203°C
  • Refractive Index: 1.571

2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy- Related Literature

Related Categories

113021-53-7 (2,5-Cyclohexadiene-1,4-dione,5-amino-3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-) Related Products

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