Mrv1652309052211572D 39 40 0 0 0 0 999 V2000 3.5923 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4113 -0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4113 -1.2123 0.0000 C 0 0 0 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 4 0 0 0 6 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 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 2 0 0 0 0 19 20 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 5 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 31 37 1 0 0 0 0 25 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > NP0211599 > NP-MRD > CC(O)OC1C=C(CO)C(O)CC(OC(C)=O)C(C)=C(OC(C)=O)C(OC(C)=O)C2=C(C)C(O)CC1C2(C)C > InChI=1S/C28H42O11/c1-13-21(34)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,16,20-24,27,29,31,34-35H,10-12H2,1-8H3 > QIVZYHARLWMPFQ-UHFFFAOYSA-N > C28H42O11 > 554.633 > 554.272712172 > 8 > 81 > 56.71605977876759 > 1 > 4 > 0 > 0 > 2,3-bis(acetyloxy)-7,13-dihydroxy-10-(1-hydroxyethoxy)-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate > -0.7814386006666671 > 0 > 2 > 0 > 14.166104942203749 > 12.81257113711619 > -2.7659037451315784 > 169.04999999999998 > 141.18060000000003 > 9 > 0 > 2,3-bis(acetyloxy)-7,13-dihydroxy-10-(1-hydroxyethoxy)-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate > 0 > NP0211599 > 2,3-bis(acetyloxy)-7,13-dihydroxy-10-(1-hydroxyethoxy)-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-5-yl acetate $$$$