Neomogroside

CAS Registry Number®

189307-15-1
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CAS Name

Neomogroside

Molecular Formula

C66H112O34

Molecular Mass

1449.58

Cite this Page

Neomogroside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=189307-15-1 (retrieved 2024-04-25) (CAS RN: 189307-15-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)98-61-55(100-59-53(87)47(81)41(75)31(21-70)94-59)49(83)43(77)33(96-61)23-90-57-51(85)45(79)39(73)29(19-68)92-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-60-54(99-58-52(86)46(80)40(74)30(20-69)93-58)48(82)42(76)32(95-60)22-89-56-50(84)44(78)38(72)28(18-67)91-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,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-,58+,59+,60+,61+,64+,65-,66+/m1/s1

InChIKey

InChIKey=LTDANPHZAHSOBN-ISABJOOBSA-N

SMILES

C[C@]12[C@]([C@@]3(C)[C@](C)(C[C@H]1O)[C@@]([C@@H](CC[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O4)C(C)(C)O)C)(CC3)[H])(CC=C7[C@]2(CC[C@H](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[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O8)C7(C)C)[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC(CCC(C)C3CCC4(C)C5CC=C6C(CCC(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC9OC(CO)C(O)C(O)C9O)C6(C)C)C5(C)C(O)CC34C)C(O)(C)C)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,9β,10α,11α,24R)-11,25-dihydroxy-9-methyl-19-norlanost-5-ene-3,24-diyl bis[O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-
  • (3β,9β,10α,11α,24R)-11,25-Dihydroxy-9-methyl-19-norlanost-5-ene-3,24-diyl bis[O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside
  • Neomogroside
  • Mogroside VI

Deleted or Replaced CAS Registry Numbers

89590-98-7

CAS INSIGHTSTM
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