Rebaudioside D

CAS Registry Number®

63279-13-0
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CAS Name

Rebaudioside D

Molecular Formula

C50H80O28

Cite this Page

Rebaudioside D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63279-13-0 (retrieved 2024-07-21) (CAS RN: 63279-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1

InChIKey

InChIKey=RPYRMTHVSUWHSV-CUZJHZIBSA-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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)(C)CCC2)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C3(C)CCCC4(C)C3CCC56CC(=C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(CO)C(O)C(O)C9O)(CCC54)C6

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]-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α)-
  • Rebaudioside D