(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-carboxaldehydeMolecular Formula
C22H28O7Molecular Mass
404.45Cite 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 ) (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