Rebaudioside O

CAS Registry Number®

1220616-48-7

CAS Name

Rebaudioside O

Molecular Formula

C62H100O37

Molecular Mass

1437.44

Cite this Page

Rebaudioside O.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1220616-48-7 (retrieved 2024-11-22) (CAS RN: 1220616-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H100O37/c1-20-12-61-10-6-28-59(3,29(61)7-11-62(20,19-61)99-57-50(97-54-44(83)40(79)34(73)25(16-66)90-54)48(36(75)27(18-68)92-57)95-53-43(82)39(78)33(72)24(15-65)89-53)8-5-9-60(28,4)58(85)98-56-49(47(35(74)26(17-67)91-56)94-52-42(81)38(77)32(71)23(14-64)88-52)96-55-45(84)46(30(69)21(2)86-55)93-51-41(80)37(76)31(70)22(13-63)87-51/h21-57,63-84H,1,5-19H2,2-4H3/t21-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,57-,59+,60+,61+,62-/m0/s1

InChIKey

InChIKey=KTOQMKFUTRIEQB-GXSUQLSCSA-N

SMILES

C[C@]12[C@]3([C@]4(C[C@](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](CO)O5)(C(=C)C4)CC3)CC[C@@]1([C@@](C(O[C@H]8[C@H](O[C@H]9[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](C)O9)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@@H](CO)O8)=O)(C)CCC2)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C5(C)CCCC6(C)C5CCC78CC(=C)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9OC%11OC(CO)C(O)C(O)C%11O)(CCC76)C8

Other Names for this Substance

  • Kaur-16-en-18-oic acid, 13-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-, O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl ester, (4α)-
  • Rebaudioside O

CAS INSIGHTSTM
Targeted protein degrader structure, illustration