Technical Information |
Synonym: Cucurbitacin I; Elatericin B; JSI-124; JSI 124; JSI124; NSC 521777; NSC-521777; NSC521777; IUPAC/Chemical Name: (8S, 9R, 10R, 13R, 14S, 16R, 17R)-17-[(E, 2R)-2, 6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2, 16-dihydroxy-4, 4, 9, 13, 14-pentamethyl-8, 10, 12, 15, 16, 17-hexahydro-7H-cyclopenta[a]phenanthrene-3, 11-dione InChi Key: NISPVUDLMHQFRQ-MKIKIEMVSA-N InChi Code: InChI=1S/C30H42O7/c1-25(2, 36)12-11-21(33)30(8, 37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16, 3)4)29(20, 7)22(34)15-28(23, 27)6/h9, 11-13, 17, 19-20, 23, 31-32, 36-37H, 10, 14-15H2, 1-8H3/b12-11+/t17-, 19-, 20+, 23+, 27+, 28-, 29+, 30+/m1/s1 SMILES Code: O=C(C(C)(C)C1=CC[C]2([H])[C]3(C)C[CH](O)[CH]([C](C(/C=C/C(C)(O)C)=O)(O)C)[C]3(C)C4)C(O)=C[C]1([H]) |