Cas no 21490-21-1 ((2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one)

(2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one structure
21490-21-1 structure
Product Name:(2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one
CAS No:21490-21-1
MF:C29H46O7
MW:506.671350002289
CID:1401477
PubChem ID:15813982
Update Time:2025-04-20

(2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one Chemical and Physical Properties

Names and Identifiers

    • (2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one
    • (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • Stigmasta-7,25-dien-6-one, 2,3,14,20,22,27-hexahydroxy-, (2beta,3beta,5beta,22R)-
    • (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • 5beta,20xi,24xi-Stigmasta-7,25-dien-6-one, 2beta,3beta,14,20,22,27-hexahydroxy-
    • AKOS040750256
    • Stigmasta-7,25-dien-6-one, 2,3,14,20,22,27-hexahydroxy-,
    • 21490-21-1
    • 5beta,20xi,24xi-Stigmasta-7,25-dien-6-one, 2beta,3beta,14,20,22,27-hexahydroxy-
    • Ajugasteron B
    • Inchi： 1S/C29H46O7/c1-6-17(16(2)15-30)11-25(34)28(5,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,3)18(19)7-9-27(24,29)4/h12,17-18,20,22-25,30,32-36H,2,6-11,13-15H2,1,3-5H3/t17-,18+,20+,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1
    • InChI Key： ODENAQIZHMFEAO-BQBPTSSQSA-N
    • SMILES： O[C@@]12CC[C@H]([C@](C)([C@@H](C[C@H](C(=C)CO)CC)O)O)[C@@]1(C)CC[C@H]1C2=CC([C@@H]2C[C@H]([C@H](C[C@]12C)O)O)=O

Computed Properties

  • Exact Mass: 506.32448
  • Monoisotopic Mass: 506.32435380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 931
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 138.45

(2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TargetMol Chemicals
T29790-5 mg
Ajugasteron B
 21490-21-1 98%
5mg
 ￥ 7,000 2023-07-11
TargetMol Chemicals
T29790-5mg
Ajugasteron B
 21490-21-1 98%
5mg
 ￥ 7000 2023-09-15
TargetMol Chemicals
T29790-25mg
Ajugasteron B
 21490-21-1
25mg
 ￥ 10600 2024-07-20

(2beta,3beta,5beta,14xi,22R,24R)-2,3,14,20,22,27-hexahydroxystigmasta-7,25-dien-6-one Related Literature

Related Categories

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