Cas no 129831-99-8 (MC 976)

MC 976 structure
MC 976 structure
Product Name:MC 976
CAS No:129831-99-8
MF:C27H42O3
MW:414.620588779449
CID:221904
Update Time:2025-04-19

MC 976 Chemical and Physical Properties

Names and Identifiers

    • (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • 9,10-Secochola-5,7,10(19)-triene-1,3,24-triol,24-cyclopropyl-, (1a,3b,5Z,7E)- (9CI)
    • MC-976
    • MC 976
    • (1alpha,3beta,5Z,7E)-24-Cyclopropyl-9,10-secochola-5,7,10(19)-triene-1,3,24-triol
    • Inchi: 1S/C27H42O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h7,10,17,20,22-26,28-30H,2,4-6,8-9,11-16H2,1,3H3/b19-7+,21-10-/t17-,22-,23-,24?,25?,26+,27-/m1/s1
    • InChI Key: NQHWMFGCRBTMOO-KJLYFKKZSA-N
    • SMILES: OC(C1CC1)CC[C@@H](C)[C@H]1CCC2/C(=C/C=C3\C(=C)[C@H](C[C@@H](C\3)O)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6

Experimental Properties

  • Density: 1.10±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (5.4E-4 g/L) (25 oC),
  • PSA: 52.54

MC 976 Security Information

  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

MC 976 Pricemore >>

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