Mrv1652309022207012D 46 50 0 0 1 0 999 V2000 -3.2026 0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.1916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1480 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4716 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.7301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6962 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7301 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -2.1305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1983 -2.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -2.2757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3035 -3.0516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8353 -3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -1.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2920 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -2.0807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1965 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -3.0018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9450 -3.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -4.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6935 -5.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 -4.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -4.5536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3177 -5.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5692 -3.9229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3813 -4.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 -3.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8207 -2.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -3.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.6450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4798 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -1.3546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0361 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 11 9 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 27 36 1 0 0 0 0 36 37 1 6 0 0 0 25 38 1 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 22 41 1 0 0 0 0 16 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 11 45 1 0 0 0 0 14 45 1 0 0 0 0 45 46 1 6 0 0 0 M END > NP0149177 > NP-MRD > CO[C@@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C)C=C(C)C > InChI=1S/C38H64O8/c1-21(2)17-23(43-9)18-22(3)24-13-14-38(8)33-27(44-10)19-26-25(36(33,6)15-16-37(24,38)7)11-12-29(35(26,4)5)46-34-32(42)31(41)30(40)28(20-39)45-34/h17,19,22-25,27-34,39-42H,11-16,18,20H2,1-10H3/t22-,23-,24-,25-,27+,28-,29+,30-,31+,32-,33-,34+,36+,37-,38+/m1/s1 > AXVNDLMNNLLGAJ-MZDADNFFSA-N > C38H64O8 > 648.922 > 648.460119021 > 8 > 110 > 75.46661734909885 > 1 > 4 > 0 > 0 > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,2S,5S,9S,10R,11S,14R,15R)-9-methoxy-14-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol > 4.62 > 4.882079303333334 > -5.28 > 1 > 5 > 0 > 13.200079362108962 > 12.21053381758464 > -2.9810835453940525 > 117.84000000000002 > 179.68100000000007 > 9 > 0 > 3.39e-03 g/l > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,2S,5S,9S,10R,11S,14R,15R)-9-methoxy-14-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol > 0 > NP0149177 > (2r,3r,4s,5s,6r)-2-{[(1r,3as,3br,4s,7s,9as,9bs,11ar)-4-methoxy-1-[(2r,4s)-4-methoxy-6-methylhept-5-en-2-yl]-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$