Mrv2104 03092302202D 38 43 0 0 1 0 999 V2000 -0.1953 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8971 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0532 -0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5214 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 -0.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5020 -0.2709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0083 0.3804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2790 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3684 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 0.7273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4280 0.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7665 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2614 1.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 -0.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 -1.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5072 -1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1995 -1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8653 -0.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -2.0864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2123 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6805 -2.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 5 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 12 21 1 6 0 0 0 11 22 1 6 0 0 0 11 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 10 26 1 1 0 0 0 10 27 1 0 0 0 0 27 25 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 6 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 32 31 1 0 0 0 0 32 33 1 6 0 0 0 34 32 1 0 0 0 0 5 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 2 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > NP0333492 > NP-MRD > [H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@@]1(C)CC[C@@H](O)C(C)(C)O1 > InChI=1S/C30H50O5/c1-24(2)20(33)9-11-30-16-29(30)13-12-26(5)23(28(7)10-8-21(34)25(3,4)35-28)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,26+,27-,28+,29-,30+/m0/s1 > VIOYSPVPEAYUTR-LTTAEMHKSA-N > C30H50O5 > 490.725 > 490.36582471 > 5 > 85 > 57.01871707033068 > 1 > 4 > 0 > 0 > (1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-6,9,14-triol > 2.5997933190000007 > 0 > 6 > 0 > 14.43227128717913 > 13.835653290631466 > -2.8423453849030924 > 90.15 > 135.716 > 1 > 1 > (1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-6,9,14-triol > 0 > NP0333492 > Cyclocephagenol $$$$