(2aS,4R,4aR,6S,7aS,7bS)-Octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl 4-hydroxybenzoate
CAS Registry Number®
1390-72-3
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CAS Name
(2aS,4R,4aR,6S,7aS,7bS)-Octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl 4-hydroxybenzoateMolecular Formula
C16H18O7Molecular Mass
322.31Cite this Page
(2aS,4R,4aR,6S,7aS,7bS)-Octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl 4-hydroxybenzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1390-72-3 (retrieved ) (CAS RN: 1390-72-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H18O7/c17-9-3-1-8(2-4-9)14(19)22-11-6-16(20)7-21-15-13(16)10(11)5-12(18)23-15/h1-4,10-13,15,17-18,20H,5-7H2/t10-,11+,12-,13+,15-,16+/m0/s1
InChIKey
InChIKey=ZGEFAWWFLHUTII-ZNOBHYIQSA-N
SMILES
O[C@]12[C@@]3([C@]([C@H](OC(=O)C4=CC=C(O)C=C4)C1)(C[C@@H](O)O[C@@]3(OC2)[H])[H])[H]
Canonical SMILES
O=C(OC1CC2(O)COC3OC(O)CC1C32)C4=CC=C(O)C=C4
Other Names for this Substance
- Benzoic acid, 4-hydroxy-, (2aS,4R,4aR,6S,7aS,7bS)-octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl ester
- Catalpin
- Benzoic acid, 4-hydroxy-, octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl ester, [2aS-(2aα,4α,4aα,6α,7aα,7bα)]-
- (2aS,4R,4aR,6S,7aS,7bS)-Octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl 4-hydroxybenzoate
