CAS Registry Number®
5945-50-6
CAS Name
Monotropein
Molecular Formula
C16H22O11
Molecular Mass
390.34
Compound Properties
-
Melting Point (1)
170-173 °C
Source(s)
- (1) Inouye, Hiroyuki; Chemical & Pharmaceutical Bulletin, (1964), 12(2), 255-6, CAplus
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
- NSC 291303
- NSC 88926
Deleted or Replaced CAS Registry Numbers
98845-47-7, 1365-63-5, 27120-79-2, 31018-71-0, 741212-56-6
