Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-
CAS Registry Number®
124901-80-0
CAS Name
Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-Molecular Formula
C24H32O8Molecular Mass
448.51Cite this Page
Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=124901-80-0 (retrieved ) (CAS RN: 124901-80-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey
InChIKey=CEUOLEQPGHORRY-TXFJJUHBSA-N
SMILES
O(C(C)=O)[C@@H]1[C@]23[C@]4(C[C@@](C[C@@]2([C@](C)([C@H](C)C[C@@H]3OC(C)=O)[C@@]5(C[C@@]6([C@](O5)(OC=C6)[H])[H])[H])[H])(O1)[H])CO4
Canonical SMILES
O=C(OC1OC2CC3C(C)(C4OC5OC=CC5C4)C(C)CC(OC(=O)C)C13C6(OC6)C2)C
Other Names for this Substance
- Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-
- Caryoptinol, 3-deoxy-2,18-epoxy-, (2α,18R)-
- Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-
- Furo[2,3-b]furan, caryoptinol deriv.
- Jodrellin A
