Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-
CAS Registry Number®
50645-63-1
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CAS Name
Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-Molecular Formula
C26H36O9Molecular Mass
492.56Cite this Page
Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,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=50645-63-1 (retrieved ) (CAS RN: 50645-63-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26-/m1/s1
InChIKey
InChIKey=QVORLEZTALRJNW-SHZKAIFQSA-N
SMILES
C(OC(C)=O)[C@]12[C@]3([C@H](OC(C)=O)CC[C@@]1([C@](C)([C@H](C)C[C@@H]2OC(C)=O)[C@@]4(C[C@@]5([C@](O4)(OC=C5)[H])[H])[H])[H])CO3
Canonical SMILES
O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OC=CC4C3)C2CCC(OC(=O)C)C51OC5)C
Other Names for this Substance
- Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-
- Caryoptinol, acetate
- Furo[2,3-b]furan, caryoptinol deriv.
- Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)-, diacetate, [1R-[1α,2α,4aβ,5β(2S*,3aS*,6aS*),6α,8α,8aα]]-
- Caryoptin
