Mrv1652309062219282D 40 43 0 0 1 0 999 V2000 4.5420 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 0.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8887 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 -0.7392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2884 -1.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 -2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 -1.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -0.4067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0947 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -1.0889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 -3.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 -3.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 -3.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -1.1110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1457 -2.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 -3.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -3.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -0.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7088 -0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 -0.5376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0940 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 0.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 0.4640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9282 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 0.1436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9866 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 -1.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9307 0.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6776 1.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 3.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 2.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.4135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 18 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 25 33 1 0 0 0 0 33 34 2 0 0 0 0 31 35 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 35 40 1 0 0 0 0 40 2 1 6 0 0 0 11 40 1 0 0 0 0 M END > NP0235066 > NP-MRD > CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C > InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28+/m0/s1 > NFUTVRWRWMCUTE-LEJHNKGISA-N > C28H38O12 > 566.6 > 566.236326664 > 8 > 78 > 55.837779935392604 > 1 > 2 > 0 > 0 > (1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,6,11-tris(acetyloxy)-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-4-yl acetate > -0.6413289923333337 > 1 > 4 > 0 > 14.527833236713242 > 12.148276340838276 > -3.002512181910137 > 171.96 > 133.0354 > 8 > 0 > (1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,6,11-tris(acetyloxy)-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0^{2,15}.0^{5,10}]heptadecan-4-yl acetate > 0 > NP0235066 > (1r,2s,3s,4r,5s,6s,8s,10r,11r,12r,15s)-3,6,11-tris(acetyloxy)-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0²,¹⁵.0⁵,¹⁰]heptadecan-4-yl acetate $$$$