Parillin

CAS Registry Number®

19057-61-5
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CAS Name

Parillin

Molecular Formula

C51H84O22

Molecular Mass

1049.20

Cite this Page

Parillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19057-61-5 (retrieved 2024-05-19) (CAS RN: 19057-61-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,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+,46-,47-,48+,49-,50-,51+/m0/s1

InChIKey

InChIKey=DLUTTXMPJCVUFR-HJCIYZGTSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O6)CC5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@H](C)CO%10)[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)C(OC9OC(CO)C(O)C(O)C9O)C(O)C2OC%10OC(C)C(O)C(O)C%10O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-[β-D-glucopyranosyl-(1→6)]-
  • Parillin
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
  • Spirostan, β-D-glucopyranoside deriv.
  • (3β,5β,25S)-Spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

36-34-0, 20301-74-0

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