Mrv1652309092222222D 41 45 0 0 1 0 999 V2000 0.4503 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4185 -2.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6412 1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2655 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 2.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5458 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2618 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 -2.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -3.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 6 0 0 0 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 18 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 29 33 2 0 0 0 0 28 34 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 38 37 1 6 0 0 0 23 38 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 6 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > NP0289939 > NP-MRD > CCC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4[C@]3(C)[C@H](OC(C)=O)[C@H](O)[C@H]2C1(C)C)C1=COC=C1 > InChI=1S/C33H46O8/c1-9-26(36)41-24-16-25(39-18(2)34)33(8)23-12-14-31(6)21(20-13-15-38-17-20)10-11-22(31)32(23,7)29(40-19(3)35)27(37)28(33)30(24,4)5/h11,13,15,17,21,23-25,27-29,37H,9-10,12,14,16H2,1-8H3/t21-,23-,24+,25-,27+,28-,29+,31-,32-,33-/m0/s1 > OLAITLNVWDKEJN-DHGKALFUSA-N > C33H46O8 > 570.723 > 570.319268441 > 4 > 87 > 61.77287917540574 > 1 > 1 > 0 > 0 > (1R,2R,3S,5R,7S,8R,9S,10R,14R,15S)-3,9-bis(acetyloxy)-14-(furan-3-yl)-8-hydroxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-5-yl propanoate > 4.125623863333333 > 1 > 5 > 0 > 13.859742554028877 > -2.804437075448131 > 112.27 > 150.82080000000002 > 8 > 0 > (1R,2R,3S,5R,7S,8R,9S,10R,14R,15S)-3,9-bis(acetyloxy)-14-(furan-3-yl)-8-hydroxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-5-yl propanoate > 0 > NP0289939 > (1r,3br,4s,5r,5as,7r,9s,9ar,9br,11as)-4,9-bis(acetyloxy)-1-(furan-3-yl)-5-hydroxy-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl propanoate $$$$