Cas no 54082-42-7 ((4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name))

(4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name) structure
54082-42-7 structure
Product Name:(4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name)
CAS No:54082-42-7
MF:C29H44O8
MW:520.654870033264
CID:1587011
PubChem ID:56841054
Update Time:2025-04-21

(4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name) Chemical and Physical Properties

Names and Identifiers

    • (4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name)
    • (3R,4S,5R)-4-[(2R,3S)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxol
    • (4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-m
    • 25,28-Di-epi-cyasterone
    • Isocyasterone
    • 54082-42-7
    • Cyasterone
    • Cyasteron
    • Inchi： 1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28+,29-/m1/s1
    • InChI Key： NEFYSBQJYCICOG-KBTANIATSA-N
    • SMILES： O[C@@]12CC[C@H]([C@@](C)([C@@H](C[C@@H]3[C@@H](C)OC([C@@H]3C)=O)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: 520.30361836g/mol
  • Monoisotopic Mass: 520.30361836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 4
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 145?2

(4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name) Related Literature

Related Categories

54082-42-7 ((4R)-4-{(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl}-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one (non-preferred name)) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.