(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

CAS Name

(2aS,4R,4aR,6S,7aS,7bS)-Octahydro-2a,6-dihydroxy-2H-1,7-dioxacyclopent[cd]inden-4-yl 4-hydroxybenzoate

Molecular Formula

C16H18O7

Molecular Mass

322.31

Cite 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/detail?cas_rn=1390-72-3 (retrieved 2024-11-26) (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

CAS INSIGHTSTM
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