Monotropein

CAS Registry Number®

5945-50-6
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CAS Name

Monotropein

Molecular Formula

C16H22O11

Molecular Mass

390.34

Cite this Page

Monotropein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5945-50-6 (retrieved 2024-05-02) (CAS RN: 5945-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1

InChIKey

InChIKey=HPWWQPXTUDMRBI-NJPMDSMTSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(O)=O)=CO1)(C=C[C@@]2(CO)O)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, (1S,4aS,7R,7aS)-
  • Monotropein
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, [1S-(1α,4aα,7β,7aα)]-
  • (1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid
  • Monotropeine

View All

Deleted or Replaced CAS Registry Numbers

98845-47-7, 1365-63-5, 27120-79-2, 31018-71-0, 741212-56-6

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