Ketcher 01171809472D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 10.7583 -14.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 -14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -15.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 -15.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 -14.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -16.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 -13.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 -14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 -16.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 -16.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2449 -16.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2449 -14.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 -15.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 -13.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -14.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 -16.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 -15.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 -16.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 -14.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4882 -16.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7158 -13.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3075 -14.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7158 -15.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7158 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5941 -12.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8374 -12.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3508 -12.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2291 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2291 -13.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1076 -12.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 -17.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7415 -17.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1297 -13.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5818 -13.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 4 1 1 0 0 0 7 2 1 0 0 0 2 14 1 1 0 0 12 3 1 0 0 0 3 15 1 6 0 0 6 3 1 0 0 0 5 3 1 0 0 0 5 4 1 0 0 0 9 4 1 0 0 0 4 19 1 1 0 0 8 5 1 0 0 0 5 18 1 1 0 0 10 6 2 0 0 0 11 6 1 0 0 0 8 7 1 0 0 0 10 9 1 0 0 0 16 11 1 0 0 0 17 12 1 0 0 0 17 16 1 0 0 0 16 20 1 1 0 0 21 2 1 0 0 0 1 2 1 0 0 0 22 21 1 0 0 0 23 1 1 0 0 0 23 22 1 0 0 0 24 21 1 0 0 0 26 24 1 0 0 0 24 27 1 6 0 0 26 25 1 0 0 0 28 25 1 0 0 0 29 28 2 0 0 0 30 29 1 0 0 0 31 29 1 0 0 0 32 11 1 0 0 0 33 11 1 0 0 0 8 34 1 6 0 0 21 35 1 6 0 0 M END > CHEBI:138972 > 11alpha-hydroxycucurbitadienol > A tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at positions 9β, 10, and 14, and by hydroxy groups at positions 1 and 11α. > 3 > cucurbita-5,24-dien-3,11-diol; 11-hydroxycucurbitadienol; 10alpha-cucurbita-5,24-diene-3beta,11alpha-diol; (1S,4R,9beta,11alpha)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,11-diol > (1S,4R)-9beta,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,11alpha-diol > C30H50O2 > 442.718 > 442.38108 > 0 > [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])O)C)[H] > InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-16-17-28(6)24-14-12-22-23(13-15-25(31)27(22,4)5)30(24,8)26(32)18-29(21,28)7/h10,12,20-21,23-26,31-32H,9,11,13-18H2,1-8H3/t20-,21-,23-,24+,25+,26-,28+,29-,30+/m1/s1 > BXJMMHFVUAQJBV-WSZKGZBVSA-N > 6771857 > CPD-20417 > 26903528; 27821754 $$$$