5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-2,2,6-trimethyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-14-oxidanyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Systemtic Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-2,2,6-trimethyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-10,13-dimethyl-14-oxidanyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Openeye Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one CAS Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone IUPAC Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Traditional Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[[(3aR,4R,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C33H46O8 MolecularWeight: 570.71354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C(C(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)C)OC(O2)(C)C)O

Isomeric SMILES

C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CC[C@@]6([C@@H]5CCC4=C3)O)C7=COC(=O)C=C7)C)C)OC(O2)(C)C)O

InChI

InChI=1S/C33H46O8/c1-18-26(35)27-28(41-30(2,3)40-27)29(38-18)39-21-10-13-31(4)20(16-21)7-8-24-23(31)11-14-32(5)22(12-15-33(24,32)36)19-6-9-25(34)37-17-19/h6,9,16-18,21-24,26-29,35-36H,7-8,10-15H2,1-5H3/t18-,21-,22+,23-,24+,26-,27+,28+,29-,31-,32+,33-/m0/s1