(1S,3S,4S,4aR,7aS,7bR)-3-(hydroxymethyl)-3-(4-hydroxyphenyl)sulfanyl-6,6,7b-trimethyl-1,4-bis(oxidanyl)-2a,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-one

Systemtic Name: (1S,3S,4S,4aR,7aS,7bR)-3-(hydroxymethyl)-3-(4-hydroxyphenyl)sulfanyl-6,6,7b-trimethyl-1,4-bis(oxidanyl)-2a,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-one Openeye Name: (1S,3S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-3-(4-hydroxyphenyl)sulfanyl-6,6,7b-trimethyl-2a,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-one CAS Name: (1S,3S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-3-[(4-hydroxyphenyl)thio]-6,6,7b-trimethyl-2a,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-one IUPAC Name: (1S,3S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-3-(4-hydroxyphenyl)sulfanyl-6,6,7b-trimethyl-2a,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-one Traditional Name: (1S,3S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-[(4-hydroxyphenyl)thio]-6,6,7b-trimethyl-3-methylol-2a,4,4a,5,7,7a-hexahydro-1H-cyclobut[e]inden-2-one Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C1)C3(C(C(=O)C3O)C(C2O)(CO)SC4=CC=C(C=C4)O)C)C

Isomeric SMILES

C[C@@]12[C@H]3CC(C[C@H]3[C@@H]([C@](C1C(=O)[C@H]2O)(CO)SC4=CC=C(C=C4)O)O)(C)C

InChI

InChI=1S/C21H28O5S/c1-19(2)8-13-14(9-19)20(3)16(15(24)18(20)26)21(10-22,17(13)25)27-12-6-4-11(23)5-7-12/h4-7,13-14,16-18,22-23,25-26H,8-10H2,1-3H3/t13-,14+,16?,17+,18-,20-,21-/m1/s1