Cas no 149572-32-7 ((1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-ene-7,21-diol)

(1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-ene-7,21-diol structure
149572-32-7 structure
Product Name:(1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-ene-7,21-diol
CAS No:149572-32-7
MF:C21H30O5
MW:362.459907054901
CID:167361
Update Time:2023-08-03

(1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-ene-7,21-diol Chemical and Physical Properties

Names and Identifiers

    • 5H-1,5a-Epoxy-1H-furo[3,4-b]phenanthro[2,1-d]pyran-5,9-diol,3,3a,5b,6,8,9,10,11,11a,11b,12,13,13a,13b-tetradecahydro-11a,13a-dimethyl-,(1R,3aS,5R,5aS,5bR,9S,11aR,11bS,13aR,13bR)- (9CI)
    • 5H-1,5a-Epoxy-1H-furo[3,4-b]phenanthro[2,1-d]pyran-5,9-diol,3,3a,5b,6,8,9,10,11,11a,11b,12,13,13a,13b-tetradecahydro-11a,13a-
    • 5H-1,5a-Epoxy-1H-furo[3,4-b]phenanthro[2,1-d]pyran-5,9-diol,3,3a,5b,6,8,9,10,11,11a,11b,12,13,13a,13b-tetradecahydro-11a,13a-dimethyl-,[1R-(1a,3ab,5a,5aa,5ba,9a,11aa,11bb,13aa,13bb)]-
    • D-Homo-16-oxaandrost-5-ene-17a-carboxaldehyde,3,14,15-trihydroxy-17-(hydroxymethyl)-, cyclic 17a,14:17a,17-acetal, (3b,14b,15b,17b,17ab)-
    • Velutinol A
    • (1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05
    • (1S,2R,7S,10R,11S,14R,15R,16R,19S,21R)-10,14-Dimethyl-17,20,22-trioxahexacyclo[14.5.1.01,14.02,11.05,10.015,19]docos-4-ene-7,21-diol
    • Inchi: 1S/C21H30O5/c1-19-7-5-12(22)9-11(19)3-4-14-13(19)6-8-20(2)16-15-10-24-17(16)26-21(14,20)18(23)25-15/h3,12-18,22-23H,4-10H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19-,20+,21+/m0/s1
    • InChI Key: RDZXKBCQYWCSCU-YBIBVBRTSA-N
    • SMILES: O1[C@@H]2[C@H]3[C@@H](CO2)O[C@H]([C@]21[C@@H]1CC=C4C[C@H](CC[C@]4(C)[C@H]1CC[C@@]23C)O)O

Computed Properties

  • Exact Mass: 362.209
  • Monoisotopic Mass: 362.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 677
  • 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: 68.2
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