Ketcher 01192215282D 1 1.00000 0.00000 0 36 40 0 0 0 999 V2000 -2.5875 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 3.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 3.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3608 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1215 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 -0.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 2.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -1.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 2.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5863 3.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 3.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 14 1 0 0 0 15 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 16 1 0 0 0 5 22 1 1 0 0 4 23 1 1 0 0 2 24 1 1 0 0 8 25 1 1 0 0 13 26 1 1 0 0 16 27 1 1 0 0 4 28 1 6 0 0 7 29 1 6 0 0 14 30 1 6 0 0 15 31 1 6 0 0 21 32 1 6 0 0 3 33 1 6 0 0 32 34 1 0 0 0 32 35 1 0 0 0 32 36 1 0 0 0 M END > CHEBI:189409 > 21-beta-H-hopane-3-beta,22-diol > A triterpene. > 2 > 21-betaH-hopane-3-beta,22-diol > C30H52O2 > 444.744 > 444.39673 > 0 > C1[C@]2([C@](C([C@H](C1)O)(C)C)(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]5([C@@]4(CC[C@@H]5C(C)(C)O)C)[H])C)[H])[H])C)[H])C > InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1 > FNUXMEOWJVTJJE-DTXRQUTOSA-N > 30977375 $$$$