Mrv1652309082202002D 35 37 0 0 1 0 999 V2000 -1.4586 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.1105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2539 0.6039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9039 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -2.2539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8414 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9824 -0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9824 -1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -1.5395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7289 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.1105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7289 0.6039 0.0000 O 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 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 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 7 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 13 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 11 34 1 0 0 0 0 34 35 1 1 0 0 0 M END > NP0258520 > NP-MRD > CC(=O)O[C@H]1C[C@@H]2[C@H](O)\C=C3/C[C@@](C)([C@H](C[C@@H]3O)OC(C)=O)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C > InChI=1S/C26H36O9/c1-12-20(33-13(2)27)9-17-19(31)8-16-11-26(7,21(10-18(16)30)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17-21,23,30-31H,9-11H2,1-7H3/b16-8+/t17-,18+,19-,20+,21+,23-,26+/m1/s1 > JJNZROKUXHWIPI-ITQCTQQNSA-N > C26H36O9 > 492.565 > 492.235932739 > 6 > 71 > 50.861457230333 > 1 > 2 > 0 > 0 > (1E,3R,4S,6S,9R,11S,12S,14S)-9,12-bis(acetyloxy)-3,14-dihydroxy-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1^{4,8}]hexadeca-1,7-dien-6-yl acetate > 0.8976140703333331 > 1 > 3 > 0 > 14.2242087156007 > 11.5756128865993 > -3.005680070200224 > 136.43 > 124.7101 > 6 > 1 > (1E,3R,4S,6S,9R,11S,12S,14S)-9,12-bis(acetyloxy)-3,14-dihydroxy-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1^{4,8}]hexadeca-1,7-dien-6-yl acetate > 0 > NP0258520 > (1e,3r,4s,6s,9r,11s,12s,14s)-9,12-bis(acetyloxy)-3,14-dihydroxy-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-1,7-dien-6-yl acetate $$$$