Cas no 35663-32-2 ((4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid)

(4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid structure
35663-32-2 structure
Product Name:(4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid
CAS No:35663-32-2
MF:C33H50O9
MW:590.744711399078
CID:318391
Update Time:2024-02-29

(4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid Chemical and Physical Properties

Names and Identifiers

    • 29-Nordammara-17(20),24-dien-21-oicacid, 6,16-bis(acetyloxy)-3,7,11-trihydroxy-, (3a,4a,6a,7b,8a,9b,11b,13a,14b,16b,17Z)- (9CI)
    • Viridominicacid C
    • (4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid
    • Viridominic acid C
    • CID 101324760
    • 29-Nordammara-17(20),24-dien-21-oic acid, 6,16-bis(acetyloxy)-3,7,11-trihydroxy-, (3α,4α,6α,7β,8α,9β,11β,13α,14β,16β,17Z)- (9CI)
    • Inchi： 1S/C33H50O9/c1-16(2)10-9-11-20(30(39)40)25-21-14-23(37)28-31(6)13-12-22(36)17(3)26(31)27(42-19(5)35)29(38)33(28,8)32(21,7)15-24(25)41-18(4)34/h10,17,21-24,26-29,36-38H,9,11-15H2,1-8H3,(H,39,40)/b25-20+/t17-,21+,22-,23+,24+,26-,27-,28+,29+,31+,32+,33-/m1/s1
    • InChI Key： YAAGRHRHYOHRES-NGMRSBNWSA-N
    • SMILES： O[C@H]1[C@@H]([C@H]2[C@H](C)[C@@H](CC[C@]2(C)[C@@H]2[C@H](C[C@H]3/C(=C(\C(=O)O)/CC/C=C(\C)/C)/[C@H](C[C@]3(C)[C@]21C)OC(C)=O)O)O)OC(C)=O

Computed Properties

  • Exact Mass: 590.345
  • Monoisotopic Mass: 590.345
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 8
  • Complexity: 1170
  • 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: 151
  • XLogP3: 3.951

Experimental Properties

  • Density: 1.23±0.1 g/cm3(Predicted)
  • Melting Point: 168-171 °C
  • Boiling Point: 696.9±55.0 °C(Predicted)
  • pka: 4.10±0.41(Predicted)

(4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid Related Literature

35663-32-2 ((4α,8α,9β,13α,14β,17Z)-6α,16β-Diacetoxy-3α,7β,11β-trihydroxy-29-nordammara-17(20),24-dien-21-oic acid) Related Products

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