Mrv1652309092221472D 44 50 0 0 1 0 999 V2000 -0.7022 -0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 -0.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 0.8145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9274 1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 1.9883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7422 2.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 1.5179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5343 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 1.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4415 2.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 2.9083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0862 3.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 2.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 1.8253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9649 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6797 0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7098 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 1.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 1.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4076 0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 0.2836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2162 -0.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 -1.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5433 -1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -3.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -2.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 0.0947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4509 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 0.3440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8311 -0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 0.6957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 33 38 1 0 0 0 0 29 39 1 0 0 0 0 39 40 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 5 42 1 0 0 0 0 42 43 1 1 0 0 0 44 42 1 1 0 0 0 39 44 1 0 0 0 0 9 44 1 0 0 0 0 M END > NP0289554 > NP-MRD > CC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)C1=CC=CC=C1)[C@]1(C)[C@@H]2C[C@H](O)O[C@H]2C[C@H](C(C)=C12)C1=COC=C1 > InChI=1S/C35H42O9/c1-18-22(21-11-12-40-16-21)13-23-28(18)35(5)24(14-27(38)43-23)34(4)25(37)15-26(42-19(2)36)33(3)17-41-29(30(33)34)31(35)44-32(39)20-9-7-6-8-10-20/h6-12,16,22-27,29-31,37-38H,13-15,17H2,1-5H3/t22-,23+,24-,25+,26-,27-,29-,30+,31-,33-,34+,35-/m1/s1 > YVLWZIULQNWYGW-GWFJOCPGSA-N > C35H42O9 > 606.712 > 606.282882932 > 6 > 86 > 64.10551885537092 > 1 > 2 > 0 > 0 > (1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0^{2,11}.0^{6,10}.0^{16,20}]icos-9-en-12-yl benzoate > 3.384947564000001 > 1 > 7 > 0 > 14.604036524455324 > 12.444662676589804 > -2.8439706793657353 > 124.66000000000001 > 158.71339999999998 > 6 > 0 > (1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0^{2,11}.0^{6,10}.0^{16,20}]icos-9-en-12-yl benzoate > 0 > NP0289554 > (1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate $$$$