2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aα,4α,5β,6aα)]-

CAS Registry Number®

74842-93-6
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CAS Name

2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aα,4α,5β,6aα)]-

Molecular Formula

C16H18O4

Molecular Mass

274.31

Cite this Page

2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aα,4α,5β,6aα)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74842-93-6 (retrieved 2024-08-16) (CAS RN: 74842-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18O4/c17-9-14-13-8-12(18)6-11(13)7-15(14)20-16(19)10-4-2-1-3-5-10/h1-5,11,13-15,17H,6-9H2/t11-,13-,14+,15+/m0/s1

InChIKey

InChIKey=IFCJCYGBDIDFBS-SPWCGHHHSA-N

SMILES

C(O)[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=CC=C3)(CC(=O)C2)[H])[H]

Canonical SMILES

O=C(OC1CC2CC(=O)CC2C1CO)C=3C=CC=CC3

Other Names for this Substance

  • 2(1H)-Pentalenone, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, [3aS-(3aα,4α,5β,6aα)]-