Mrv1652309092216152D 43 48 0 0 1 0 999 V2000 0.1988 -3.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 -3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -2.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 -1.6508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.1653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8714 -2.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 -1.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0233 -2.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 -0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 -1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6188 -0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4309 -0.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9627 0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7112 -1.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5233 -1.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1794 -1.9599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4597 -2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3673 -1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -2.0864 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 10 9 1 6 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 1 6 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 6 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 27 26 1 6 0 0 0 27 28 1 0 0 0 0 28 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 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 27 35 1 0 0 0 0 22 36 1 0 0 0 0 19 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 40 39 1 6 0 0 0 18 40 1 0 0 0 0 13 40 1 0 0 0 0 15 41 1 0 0 0 0 10 41 1 0 0 0 0 8 42 1 0 0 0 0 3 42 1 0 0 0 0 42 43 2 0 0 0 0 M END > NP0285895 > NP-MRD > COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(O)[C@H](C)O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@@H]4CC=C3C2)C1=O > InChI=1S/C34H52O9/c1-18-15-27(39-6)30(37)31(40-18)43-22-9-12-32(4)21(16-22)7-8-23-24(32)10-13-33(5)25(23)11-14-34(33,38)20(3)42-28-17-26(35)29(36)19(2)41-28/h7,15,18-20,22-26,28-29,31,35-36,38H,8-14,16-17H2,1-6H3/t18-,19-,20-,22-,23+,24-,25-,26-,28+,29+,31-,32-,33-,34-/m0/s1 > CGUNKFNCRCGQRL-ZECAFWDFSA-N > C34H52O9 > 604.781 > 604.361133254 > 9 > 95 > 68.2766247530305 > 1 > 3 > 0 > 0 > (2R,6S)-2-{[(1S,2R,5S,10R,11S,14R,15S)-14-[(1S)-1-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}ethyl]-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one > 3.8217322576666675 > 1 > 6 > 0 > 13.625181060121179 > 12.981862835025336 > -3.2525593911592043 > 123.91000000000003 > 160.7493 > 6 > 0 > (2R,6S)-2-{[(1S,2R,5S,10R,11S,14R,15S)-14-[(1S)-1-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}ethyl]-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-4-methoxy-6-methyl-2,6-dihydropyran-3-one > 0 > NP0285895 > (2r,6s)-2-{[(1r,3as,3br,7s,9ar,9bs,11as)-1-[(1s)-1-{[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}ethyl]-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-2,6-dihydropyran-3-one $$$$