Mrv1652309082208492D 35 41 0 0 1 0 999 V2000 7.9437 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 1.6414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7973 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3141 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4425 3.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 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 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 1 0 0 0 0 0 0 0 0 0 1.6805 0.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8683 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 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 1.9895 3.2018 0.0000 O 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 6.5356 3.1440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8907 2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 3.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6892 3.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 2.2613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9744 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 1.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 14 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 9 26 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 1 0 0 0 4 28 1 0 0 0 0 28 29 1 6 0 0 0 2 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 6 0 0 0 M END > NP0263597 > NP-MRD > C[C@]12C[C@H](OC(=O)[C@]1(C)O)C(C2)[C@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17?,18-,20-,21+,23-,24-,25-,26-,27+,28+/m0/s1 > FKQUQCYOBZEPTK-LOBFLEJSSA-N > C28H38O7 > 486.605 > 486.261753564 > 6 > 73 > 52.32415388260303 > 1 > 3 > 0 > 0 > (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one > 2.271312723 > 0 > 7 > 0 > 13.38203855977347 > 12.169410664491348 > -3.1923739033384972 > 116.59000000000002 > 125.78889999999997 > 1 > 1 > (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one > 0 > NP0263597 > (1s,2r,6s,7r,9r,11s,12s,15r,16s)-6,15-dihydroxy-15-[(1s,4r,5s)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one $$$$