Rebaudioside H

CAS Registry Number®

1220616-36-3

CAS Name

Rebaudioside H

Molecular Formula

C50H80O27

Molecular Mass

1113.15

Cite this Page

Rebaudioside H.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1220616-36-3 (retrieved 2024-11-24) (CAS RN: 1220616-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H80O27/c1-18-12-49-10-6-24-47(3,8-5-9-48(24,4)46(67)76-43-36(65)33(62)29(58)22(15-53)71-43)25(49)7-11-50(18,17-49)77-45-40(39(30(59)23(16-54)72-45)74-42-35(64)32(61)28(57)21(14-52)70-42)75-44-37(66)38(26(55)19(2)68-44)73-41-34(63)31(60)27(56)20(13-51)69-41/h19-45,51-66H,1,5-17H2,2-4H3/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-/m0/s1

InChIKey

InChIKey=UYOANCNCPRFKOY-PGTJKNIJSA-N

SMILES

C[C@]12[C@]3([C@]4(C[C@](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](C)O6)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O5)(C(=C)C4)CC3)CC[C@@]1([C@@](C(O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)=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(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)(CCC43)C5

Other Names for this Substance

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

CAS INSIGHTSTM
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