Mrv1652304282222462D 33 36 0 0 1 0 999 V2000 3.0798 1.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9204 1.1848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1881 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 1.1404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2269 1.9389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7218 2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 2.6236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8820 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 4.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 3.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 4.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 5.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 6.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 6.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8889 5.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 4.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 7.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 6.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 7.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 1.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 0.7830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2457 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 2.0927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8953 2.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 2.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 3.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 -1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 4 20 1 6 0 0 0 5 21 1 1 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 2 33 1 1 0 0 0 M END > NP0075500 > NP-MRD > COC1=C(O)C=CC(=C1)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2C[C@@]2(C)[C@@H](C[C@@](O)(C(C)C)[C@H]12)OC(C)=O > InChI=1S/C25H34O8/c1-13(2)25(29)12-19(31-14(3)26)23(4)11-20-24(5,33-20)10-18(21(23)25)32-22(28)15-7-8-16(27)17(9-15)30-6/h7-9,13,18-21,27,29H,10-12H2,1-6H3/t18-,19+,20-,21+,23-,24+,25+/m0/s1 > QECPVEDYFWYCOV-JAVRITLLSA-N > C25H34O8 > 462.539 > 462.225368055 > 6 > 67 > 49.08830377931345 > 1 > 2 > 0 > 1 > (1aS,2aR,3R,5R,5aS,6S,7aR)-3-(acetyloxy)-5-hydroxy-2a,7a-dimethyl-5-(propan-2-yl)-decahydroazuleno[5,6-b]oxiren-6-yl 4-hydroxy-3-methoxybenzoate > 3.02 > 2.5605017220000006 > -4.21 > 1 > 4 > 0 > 14.17999745384877 > 8.99050103164356 > -3.1574703416089047 > 114.82000000000002 > 118.38010000000001 > 7 > 1 > 2.86e-02 g/l > (1aS,2aR,3R,5R,5aS,6S,7aR)-3-(acetyloxy)-5-hydroxy-5-isopropyl-2a,7a-dimethyl-hexahydro-1aH-azuleno[5,6-b]oxiren-6-yl 4-hydroxy-3-methoxybenzoate > 0 > NP0075500 > (+)-Kuhistanicaol A $$$$