19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-

CAS Registry Number®

178062-93-6

CAS Name

19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-

Molecular Formula

C49H74O22

Molecular Mass

1015.10

Cite this Page

19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178062-93-6 (retrieved 2024-11-13) (CAS RN: 178062-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3/t20-,24+,26+,27+,28-,32-,33+,34+,35-,36+,37+,38+,39+,40+,41-,42+,43-,44+,46-,47+,48-,49-/m0/s1

InChIKey

InChIKey=MTLIDTCASADKNT-BWQLMTILSA-N

SMILES

C[C@]12[C@]3([C@](C)(C=4C(CC3)=C(C)C(O)=C(O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4)C(=O)C[C@]1(C)[C@@]([C@@](C(CCC(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)CCC(=O)C(O)(C)C1C(O)CC2(C)C3CCC4=C(C(O)=C(OC5OC(COC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C(=O)CC12C)C)C)C

Other Names for this Substance

  • 19-Norcholesta-1,3,5(10)-triene-11,22-dione, 25-(acetyloxy)-2-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-3,16,20-trihydroxy-4,9,14-trimethyl-, (9β,16α)-

CAS INSIGHTSTM
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