methyl 3-[(2R,4aS,5S,6R,7R,8aS)-2-ethenyl-2,5,8a-trimethyl-7-oxidanyl-6-(2-oxidanylpropan-2-yl)-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate

Systemtic Name: methyl 3-[(2R,4aS,5S,6R,7R,8aS)-2-ethenyl-2,5,8a-trimethyl-7-oxidanyl-6-(2-oxidanylpropan-2-yl)-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate Openeye Name: methyl 3-[(2R,4aS,5S,6R,7R,8aS)-7-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-2,5,8a-trimethyl-2-vinyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate CAS Name: 3-[(2R,4aS,5S,6R,7R,8aS)-2-ethenyl-7-hydroxy-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1-benzopyran-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R,4aS,5S,6R,7R,8aS)-2-ethenyl-7-hydroxy-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate Traditional Name: 3-[(2R,4aS,5S,6R,7R,8aS)-7-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-2,5,8a-trimethyl-2-vinyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propionic acid methyl ester Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(O1)(CC(C(C2(C)CCC(=O)OC)C(C)(C)O)O)C)C=C

Isomeric SMILES

C[C@@]1(CC[C@@H]2[C@@](O1)(C[C@H]([C@@H]([C@@]2(C)CCC(=O)OC)C(C)(C)O)O)C)C=C

InChI

InChI=1S/C21H36O5/c1-8-19(4)11-9-15-20(5,12-10-16(23)25-7)17(18(2,3)24)14(22)13-21(15,6)26-19/h8,14-15,17,22,24H,1,9-13H2,2-7H3/t14-,15+,17-,19+,20+,21+/m1/s1