Cas no 86630-40-2 ((22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one)

(22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one structure
86630-40-2 structure
Product Name:(22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one
CAS No:86630-40-2
MF:C29H48O6
MW:492.7
CID:730369
PubChem ID:13517132
Update Time:2024-03-01

(22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one Chemical and Physical Properties

Names and Identifiers

    • (22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one
    • 6H-Benz[c]indeno[5,4-e]oxepin-6-one,1-[(1S,2R,3R,4E)-2,3-dihydroxy-1-methyl-4-(1-methylethyl)-4-hexen-1-yl]hexadecahydro-8,9-
    • 6H-Benz[c]indeno[5,4-e]oxepin-6-one,1-[(1S,2R,3R,4E)-2,3-dihydroxy-1-methyl-4-(1-methylethyl)-4-hexen-1-yl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
    • Homodolicholide
    • CID 101608672
    • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4E)-2,3-dihydroxy-1-methyl-4-(1-methylethyl)-4-hexen-1-yl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
    • 28-Homodolicholide
    • 86630-40-2
    • DTXSID701317095
    • Inchi： 1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+/t16-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29?/m0/s1
    • InChI Key： LRRBQWHWKJDDAW-RVPTVYMXSA-N
    • SMILES： O1C([C@H]2C[C@@H]([C@@H](CC2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H]([C@@H](/C(=C/C)/C(C)C)O)O)CC[C@H]3[C@@H]2C1)O)O)=O

Computed Properties

  • Exact Mass: 492.34508925g/mol
  • Monoisotopic Mass: 492.34508925g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 5
  • Complexity: 824
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 107
  • XLogP3: 4.9

Experimental Properties

  • Density: 1.144±0.06 g/cm3(Predicted)
  • Boiling Point: 656.5±55.0 °C(Predicted)
  • pka: 14.15±0.20(Predicted)

(22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one Related Literature

Related Categories

86630-40-2 ((22R,23R)-2α,3α,22,23-Tetrahydroxy-28-methyl-B-homo-7-oxa-5α-ergost-24(28)-en-6-one) Related Products

Recommended suppliers
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent