Mrv2104 03092301262D 39 44 0 0 1 0 999 V2000 2.8462 2.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 1.9767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2234 2.1323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6836 1.5085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8734 1.6640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4326 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 3.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 1.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 2.4435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1429 3.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8725 3.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 1.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9539 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.1973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6543 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 1.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9410 1.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 2.0030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1477 2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6268 0.5558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8926 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 1.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9924 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 0.1883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0396 0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6741 -0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 1.3529 0.0000 H 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 8 13 2 0 0 0 0 5 14 1 6 0 0 0 4 14 1 6 0 0 0 5 15 1 0 0 0 0 15 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 1 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 22 2 1 0 0 0 0 22 23 1 6 0 0 0 24 22 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 2 28 1 0 0 0 0 24 29 1 6 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 29 36 1 6 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 3 39 1 6 0 0 0 M END > NP0333491 > 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)CCC(=O)OC4(C)C)[C@@]1(C)CC[C@@H](O)C(C)(C)O1 > InChI=1S/C30H48O6/c1-24(2)20(33)8-10-28(7,36-24)23-18(32)15-27(6)19-14-17(31)22-25(3,4)35-21(34)9-11-30(22)16-29(19,30)13-12-26(23,27)5/h17-20,22-23,31-33H,8-16H2,1-7H3/t17-,18-,19-,20+,22-,23-,26+,27-,28+,29-,30+/m0/s1 > OIPUMMFJDYNBAB-RHOKMNKPSA-N > C30H48O6 > 504.708 > 504.345089266 > 5 > 84 > 57.82710356976626 > 1 > 3 > 0 > 0 > (1S,3R,9S,10S,12S,13S,15S,16R,17R)-10,15-dihydroxy-16-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.0^{1,3}.0^{3,9}.0^{13,17}]nonadecan-6-one > 2.3535232353333346 > 0 > 6 > 0 > 14.608978996156287 > 13.891099755181184 > -2.872910698665609 > 96.22000000000001 > 136.03909999999996 > 1 > 0 > (1S,3R,9S,10S,12S,13S,15S,16R,17R)-10,15-dihydroxy-16-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.0^{1,3}.0^{3,9}.0^{13,17}]nonadecan-6-one > 0 > NP0333491 > Astracondensatol C $$$$