(2S,3R,3'S,4'S,4a'R,5S,6b'S,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'R,24a'R)-3'-[(1R)-1,3-Dihydroxy-3-methylbutyl]-3,3',13',13b',22b'-pentahydroxy-5-(hydroxymethyl)-4',5,11a ',13a',14',22a'-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']cyclope nta[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

More details:

• Systematic name

  (2S,3R,3'S,4'S,4a'R,5S,6b'S,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'R,24a'R)-3'-[(1R)-1,3-Dihydroxy-3-methylbutyl]-3,3',13',13b',22b'-pentahydroxy-5-(hydroxymethyl)-4',5,11a ',13a',14',22a'-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']cyclope nta[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

  C[C@H]1[C@H]2CC=C3[C@]2(CO[C@@]1([C@@H](CC(C)(C)O)O)O)C(=O)C[C@]4([C@H]3CC[C@@H]5[C@@]4(Cc6c(nc7c(n6)C[C@@H]8CC[C@@H]9[C@@H]([C@]8(C7)C)C[C@H]([C@]1(C9=C[C@H]2[C@@]1([C@@H]([C@@]1(O2)[C@@H](C[C@@](O1)(C)CO)O)C)O)C)O)C5)C)O

• Std. InChi

  InChI=1S/C54H76N2O12/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,63)23-41(59)50(31,32)25-66-53(26,65)42(60)21-45(3,4)62)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,64)27(2)54(67-44)43(61)22-46(5,24-57)68-54/h14,18,26-31,33-34,40,42-44,57-58,60-65H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51+,52+,53-,54-/m0/s1

• Std. InChIKey

  XEIKHJJRJZOQQL-WSOSSPSCSA-N

• Cite this record

  CSID:35517094, http://www.chemspider.com/Chemical-Structure.35517094.html (accessed 06:15, Jun 16, 2024)