(6S,7S,9E,12R)-7,9-dimethyl-12-[(E,2S,6R)-4-methyl-6-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hept-4-en-2-yl]-6-oxidanyl-1-oxacyclododec-9-en-2-one

Systemtic Name: (6S,7S,9E,12R)-7,9-dimethyl-12-[(E,2S,6R)-4-methyl-6-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hept-4-en-2-yl]-6-oxidanyl-1-oxacyclododec-9-en-2-one Openeye Name: (6S,7S,9E,12R)-12-[(E,1S,5R)-1,3-dimethyl-5-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hex-3-enyl]-6-hydroxy-7,9-dimethyl-1-oxacyclododec-9-en-2-one CAS Name: (6S,7S,9E,12R)-6-hydroxy-7,9-dimethyl-12-[(E,2S,6R)-4-methyl-6-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hept-4-en-2-yl]-1-oxacyclododec-9-en-2-one IUPAC Name: (6S,7S,9E,12R)-6-hydroxy-7,9-dimethyl-12-[(E,2S,6R)-4-methyl-6-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hept-4-en-2-yl]-1-oxacyclododec-9-en-2-one Traditional Name: (6S,7S,9E,12R)-12-[(E,1S,5R)-1,3-dimethyl-5-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]hex-3-enyl]-6-hydroxy-7,9-dimethyl-1-oxacyclododec-9-en-2-one Formula: C30H50O5 MolecularWeight: 490.715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC2(O1)CCCC2)C(C)C=C(C)CC(C)C3CC=C(CC(C(CCCC(=O)O3)O)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](OC2(O1)CCCC2)[C@H](C)/C=C(\C)/C[C@H](C)[C@H]3C/C=C(/C[C@@H]([C@H](CCCC(=O)O3)O)C)\C

InChI

InChI=1S/C30H50O5/c1-20-12-13-27(33-29(32)11-9-10-26(31)22(3)16-20)23(4)17-21(2)18-24(5)28-19-25(6)34-30(35-28)14-7-8-15-30/h12,18,22-28,31H,7-11,13-17,19H2,1-6H3/b20-12+,21-18+/t22-,23-,24+,25+,26-,27+,28+/m0/s1