Mrv1652309092221582D 31 35 0 0 1 0 999 V2000 4.4988 3.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8659 2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6893 2.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0565 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 0.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 -0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5863 2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 3.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8939 4.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 4.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 4.6955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4916 4.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 5.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 6.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 5.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 2.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 1.2281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6341 1.6843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9155 1.2789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8211 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6511 2.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 2.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9268 3.1803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4664 3.8649 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 2 12 2 0 0 0 0 6 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 14 22 1 0 0 0 0 23 22 1 1 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 6 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 1 0 0 0 M END > NP0289676 > NP-MRD > CC(C)[C@@H](O)C(=O)[C@]12O[C@@H]([C@@H]3[C@@H](C)CC[C@@H]3[C@H]1C)C1=C(O2)C2=C(C)C=CC=C2OC1=O > InChI=1S/C25H30O6/c1-11(2)20(26)23(27)25-14(5)15-10-9-13(4)17(15)21(30-25)19-22(31-25)18-12(3)7-6-8-16(18)29-24(19)28/h6-8,11,13-15,17,20-21,26H,9-10H2,1-5H3/t13-,14+,15+,17+,20+,21-,25-/m0/s1 > JOCNZPOABJFLMH-HRBZYUINSA-N > C25H30O6 > 426.509 > 426.204238686 > 5 > 61 > 37.383714159595996 > 1 > 1 > 0 > 1 > (1S,13S,14R,15S,18S,19R)-13-[(2R)-2-hydroxy-3-methylbutanoyl]-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{15,19}]icosa-2(11),5,7,9-tetraen-3-one > 4.634235188666668 > 0 > 5 > 0 > 13.019350580187492 > -3.6650170220989704 > 82.06 > 114.6767 > 3 > 1 > (1S,13S,14R,15S,18S,19R)-13-[(2R)-2-hydroxy-3-methylbutanoyl]-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{15,19}]icosa-2(11),5,7,9-tetraen-3-one > 0 > NP0289676 > (1s,13s,14r,15s,18s,19r)-13-[(2r)-2-hydroxy-3-methylbutanoyl]-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one $$$$