Rebaudioside A

CAS Registry Number®

58543-16-1

CAS Name

Rebaudioside A

Molecular Formula

C44H70O23

Molecular Mass

967.01

Cite this Page

Rebaudioside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58543-16-1 (retrieved 2024-11-22) (CAS RN: 58543-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1

InChIKey

InChIKey=HELXLJCILKEWJH-NCGAPWICSA-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=O)(C)CCC2)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45CC(=C)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC8OC(CO)C(O)C(O)C8O)(CCC43)C5

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]-, β-D-glucopyranosyl ester, (4α)-
  • Rebaudioside A
  • Glycoside X
  • Glycoside A3, from Steviarebaudiana
  • 4G-S

View All

Deleted or Replaced CAS Registry Numbers

60129-62-6, 64859-60-5, 65455-42-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration