Mrv1652309072206402D 48 52 0 0 1 0 999 V2000 9.2773 2.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 3.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 3.3939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8256 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6974 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5072 1.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4284 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -0.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 1.4549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1995 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.3097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3047 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.3886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2123 -0.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1953 1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 1.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5214 2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3335 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 2.2309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0373 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 4.1580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2038 4.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 4.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1787 4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8761 5.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0338 5.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 25 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 18 38 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 9 41 1 0 0 0 0 16 41 1 0 0 0 0 41 42 1 1 0 0 0 5 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M END > NP0243995 > NP-MRD > C[C@H](C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)[C@H]1[C@H](C[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(C)=O)C4(C)C)OC(C)=O > InChI=1S/C38H60O10/c1-20(16-26(46-22(3)40)32(43)34(8,9)44)30-27(47-23(4)41)18-36(11)28-17-25(45-21(2)39)31-33(6,7)29(48-24(5)42)12-13-38(31)19-37(28,38)15-14-35(30,36)10/h20,25-32,43-44H,12-19H2,1-11H3/t20-,25+,26+,27+,28+,29+,30+,31+,32+,35-,36+,37+,38-/m1/s1 > INVKKQHVQYJZSI-XXRCELBGSA-N > C38H60O10 > 676.888 > 676.418648132 > 6 > 108 > 76.43712763371775 > 0 > 2 > 0 > 0 > (3S,4S,6R)-2,3-dihydroxy-2-methyl-6-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-6,9,14-tris(acetyloxy)-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-15-yl]heptan-4-yl acetate > 3.479292009000001 > 1 > 5 > 0 > 15.097436158029442 > 13.034123919595284 > -3.126034750639252 > 145.66000000000003 > 175.53330000000003 > 13 > 0 > (3S,4S,6R)-2,3-dihydroxy-2-methyl-6-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-6,9,14-tris(acetyloxy)-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-15-yl]heptan-4-yl acetate > 0 > NP0243995 > (3s,4s,6r)-2,3-dihydroxy-2-methyl-6-[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-6,9,14-tris(acetyloxy)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]heptan-4-yl acetate $$$$