[6-[(3R)-5-[(3R,4aS,8aS)-3-(dioxidanyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-pent-1-en-3-yl]oxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate

Systemtic Name: [6-[(3R)-5-[(3R,4aS,8aS)-3-(dioxidanyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-pent-1-en-3-yl]oxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate Openeye Name: [6-[(1R)-1-[2-[(3R,4aS,8aS)-3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-1-methyl-allyloxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [6-[(3R)-5-[(3R,4aS,8aS)-3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyl-3-oxanyl] ester IUPAC Name: [6-[(3R)-5-[(3R,4aS,8aS)-3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [6-[(1R)-1-[2-[(3R,4aS,8aS)-3-hydroperoxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-1-methyl-allyloxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C28H46O8 MolecularWeight: 510.66004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(C)(CCC2=C(C(CC3C2(CCCC3(C)C)C)OO)C)C=C)O)O)OC(=O)C

Isomeric SMILES

CC1C(C(C(C(O1)O[C@](C)(CCC2=C([C@@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)OO)C)C=C)O)O)OC(=O)C

InChI

InChI=1S/C28H46O8/c1-9-27(7,35-25-23(31)22(30)24(17(3)33-25)34-18(4)29)14-11-19-16(2)20(36-32)15-21-26(5,6)12-10-13-28(19,21)8/h9,17,20-25,30-32H,1,10-15H2,2-8H3/t17?,20-,21+,22?,23?,24?,25?,27+,28-/m1/s1