(2S,3R,4a'R,5S,6b'R,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'S,24a'R)-3'-[(1R)-1,3-Dihydroxy-3-methylbutyl]-3,3',13',13b'-tetrahydroxy-5-(hydroxymethyl)-4',5,11a',13a',14',22 a'-hexamethyl-4,4',4a',5,5',6b',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-octacosahydro-3H-spiro[furan-2,15'-furo[3'',2'':3',4']cyclopenta[1',2':5,6 ]naphtho[1,2-b]pyrano[3'',4'':2',3']cyclopen

More details:

• Systematic name

  (2S,3R,4a'R,5S,6b'R,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'S,24a'R)-3'-[(1R)-1,3-Dihydroxy-3-methylbutyl]-3,3',13',13b'-tetrahydroxy-5-(hydroxymethyl)-4',5,11a',13a',14',22 a'-hexamethyl-4,4',4a',5,5',6b',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-octacosahydro-3H-spiro[furan-2,15'-furo[3'',2'':3',4']cyclopenta[1',2':5,6 ]naphtho[1,2-b]pyrano[3'',4'':2',3']cyclopenta[1',2':5,6]naphtho[1,2-i]phenazin]-24'(3'H)-one

• SMILES

  CC(C)(O)C[C@@H](O)C1(O)OC[C@]26C(=C\C[C@@H]2[C@H]1C)/[C@@H]7CC[C@H]8Cc9nc%10C[C@]%11(C)[C@H]%12C[C@@H](O)[C@@]5(C)C(=C/[C@@H]4O[C@]3(O[C@](C)(CO)C[C@H]3O)[C@@H](C)[C@@]45O)\[C@@H]%12CC[C@H]%11Cc%10nc9C[C@]8(C)[C@H]7CC6=O

• Std. InChi

  InChI=1S/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,41-,43-,44-,45+,47+,48+,49+,50-,51-,52-,53?,54+/m1/s1

• Std. InChIKey

  XLBCKHQLKVRGAX-ODRYYMROSA-N

• Cite this record

  CSID:10475209, http://www.chemspider.com/Chemical-Structure.10475209.html (accessed 08:15, Apr 19, 2024)