(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde

CAS Registry Number®

16964-56-0
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CAS Name

(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde

Molecular Formula

C22H28O7

Molecular Mass

404.45

Cite this Page

(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16964-56-0 (retrieved 2024-09-10) (CAS RN: 16964-56-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    245-247 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1

InChIKey

InChIKey=ORDKVFHKMGUXSQ-MVVUPFSZSA-N

SMILES

C(=O)[C@H]1[C@]2([C@]3([C@]4(C[C@@](C[C@@H]3O)(C(=C)C4=O)[H])C(=O)OC2)[H])[C@@H](OC(C)=O)CCC1(C)C

Canonical SMILES

O=CC1C(C)(C)CCC(OC(=O)C)C21COC(=O)C34C(=O)C(=C)C(CC(O)C32)C4

Other Names for this Substance

  • Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-, (1S,2R,4′aS,5′S,7′S,9′aS)-
  • Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-, [4′S-[4′α(2S*,6R*),4′aβ,5′β,7′α,9′aα]]-
  • (1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde
  • Isodonal