Catalog Number:
AG00G3RR
Chemical Name:
E-982
CAS Number:
858102-78-0
Molecular Formula:
C25H31NO6S
Molecular Weight:
473.5817
MDL Number:
MFCD03695579
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[[(8S,9S,13S,14R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoate
InChI:
InChI=1S/C25H31NO6S/c1-25-10-8-17-16-3-2-15(27)12-14(16)13-19(24(17)18(25)4-5-20(25)28)33-11-9-23(31)32-26-21(29)6-7-22(26)30/h2-3,12,17-20,24,27-28H,4-11,13H2,1H3/t17-,18-,19?,20?,24+,25+/m1/s1
InChI Key:
KUHPCTPVWHBMRF-KWWQSMQISA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCSC1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O
