(-)-Ajugapitin
CAS Registry Number®
87441-78-9
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CAS Name
(-)-AjugapitinMolecular Formula
C29H42O10Molecular Mass
550.64Cite this Page
(-)-Ajugapitin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=87441-78-9 (retrieved ) (CAS RN: 87441-78-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15-,16+,19+,20+,21+,22-,23-,24-,26-,27-,28-,29+/m0/s1
InChIKey
InChIKey=LHFSTOLZQVESJD-JORUAPMBSA-N
SMILES
C(OC(C)=O)[C@]12[C@]3([C@@H](OC([C@H](CC)C)=O)[C@H](O)C[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)C2CC(O)C(OC(=O)C(C)CC)C51OC5)C
Other Names for this Substance
- Butanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]spiro[naphthalene-1(2H),2′-oxiran]-2-yl ester, (2S)-
- Caryoptinol, 2-hydroxy-, 3-(2-methylbutanoate), (2α,3β)-
- Spiro[naphthalene-1(2H),2′-oxirane], caryoptinol deriv.
- Furo[2,3-b]furan, caryoptinol deriv.
- (-)-Ajugapitin
