Mrv1652304292204232D 36 40 0 0 1 0 999 V2000 -0.0650 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 -1.8444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2241 -1.0613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5839 -0.8944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1324 -1.5106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8730 -2.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.1794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8064 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6001 -1.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3169 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 -1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7505 -0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4673 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4721 0.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 -2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -0.6120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8399 -1.3951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2914 -2.0113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7429 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 -3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -3.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -3.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 -4.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -5.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9154 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 -0.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.1232 0.0000 O 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 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 14 17 1 0 0 0 0 10 18 1 6 0 0 0 5 19 1 1 0 0 0 4 20 1 6 0 0 0 3 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 2 25 1 1 0 0 0 24 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 23 32 1 1 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 22 36 1 1 0 0 0 M END > NP0081415 > NP-MRD > COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O > InChI=1S/C31H44O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,17,20,22-24,26H,3,7,9-16,18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1 > FPFAZZFTBDKRJL-PXERRMOCSA-N > C31H44O5 > 496.688 > 496.318874517 > 3 > 80 > 57.819805292450894 > 1 > 0 > 0 > 0 > methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0^{1,3}.0^{4,8}.0^{11,15}]heptadecan-3-yl]propanoate > 5.02 > 5.678535980666666 > -6.41 > 1 > 5 > 0 > -4.1443109674441745 > 69.67 > 139.2671 > 9 > 0 > 1.91e-04 g/l > methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0^{1,3}.0^{4,8}.0^{11,15}]heptadecan-3-yl]propanoate > 0 > NP0081415 > Coronalolide methyl ester $$$$