(1''S,2S,2'S,3''R,3aS,3a'S,5R,6''S,7S,7'S,7aS,7a'S,9''S,12''S,14''R,16''R,18''S,20''S,22''R,26''R,28''S,30''R,34''R,37''S,39''R,40''S,41''R,43''R,44''S)-7,7',14''-Trimethyl-8'',15''-bis(methylene)-2-[ (1S,3S)-1,3,5-trihydroxypentyl]decahydro-3'H,32''H-dispiro[furo[3,2-b]pyran-5,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]undecaoxaundecacyclo[32.9.2.1^3,40.1^3,41.1^6,9.1^12,16.0 ^18,30.0^20,28.0^22,26.0^37,44.0^39,43]nonatetracontan]-32''-one (non-preferred name)

More details:

• Systematic name

  (1''S,2S,2'S,3''R,3aS,3a'S,5R,6''S,7S,7'S,7aS,7a'S,9''S,12''S,14''R,16''R,18''S,20''S,22''R,26''R,28''S,30''R,34''R,37''S,39''R,40''S,41''R,43''R,44''S)-7,7',14''-Trimethyl-8'',15''-bis(methylene)-2-[ (1S,3S)-1,3,5-trihydroxypentyl]decahydro-3'H,32''H-dispiro[furo[3,2-b]pyran-5,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]undecaoxaundecacyclo[32.9.2.1~3,40~.1~3,41~.1~6,9~.1~12,16~.0 ~18,30~.0~20,28~.0~22,26~.0~37,44~.0~39,43~]nonatetracontan]-32''-one (non-preferred name)

• SMILES

  C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9C[C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H](O4)[C@H](C[C@H](CCO)O)O)C)C)O[C@H]9C[C@H](C1=C)O2

• Std. InChi

  InChI=1S/C60H86O19/c1-27-14-33-6-8-37-28(2)15-35(65-37)10-12-58-25-48-54(78-58)55-56(73-48)57(79-58)53-38(71-55)9-7-34(67-53)17-50(64)70-44-20-42-43(68-41(44)18-39(66-33)31(27)5)21-45-47(69-42)24-60(74-45)26-49-52(77-60)30(4)23-59(76-49)22-29(3)51-46(75-59)19-40(72-51)36(63)16-32(62)11-13-61/h27,29-30,32-49,51-57,61-63H,2,5-26H2,1,3-4H3/t27-,29+,30+,32+,33+,34-,35+,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,51+,52+,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1

• Std. InChIKey

  UIWVENXDOIQFPU-DVEDMPEWSA-N

• Cite this record

  CSID:57260193, http://www.chemspider.com/Chemical-Structure.57260193.html (accessed 08:50, Apr 23, 2024)