Mrv1652304282206272D 39 45 0 0 1 0 999 V2000 8.6329 0.6604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4968 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3599 2.2651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5374 2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 3.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1008 0.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8865 -0.6145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2103 -0.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4942 -0.2464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5540 -1.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4113 -1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 -1.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9794 -2.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6347 -3.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1634 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 -2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 -1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 -0.7730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7639 -0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3544 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3902 2.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0775 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 -0.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8351 0.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 0.3553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9824 -0.4679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2850 -0.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 0.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6699 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2239 0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9315 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 2 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 4 7 1 6 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 9 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 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 20 21 1 0 0 0 0 21 22 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 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 1 30 1 0 0 0 0 25 31 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 21 34 1 0 0 0 0 34 35 1 6 0 0 0 33 36 1 1 0 0 0 11 37 1 6 0 0 0 10 38 1 6 0 0 0 38 39 1 0 0 0 0 10 39 1 0 0 0 0 M END > NP0330380 > NP-MRD > C[C@H]1CC[C@]23COC(=O)\C=C4\CCO[C@]5(\C=C/C=C\C(=O)O[C@@H]6C[C@H](OC2=C1)[C@]1(CO1)[C@]36C)[C@H](O)[C@@H](O)O[C@H]45 > InChI=1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,16,18,20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3-,8-4-,17-12-/t16-,18+,20-,23+,24+,25-,26-,27-,28+,29+/m0/s1 > OKEHNIGMVFQYPZ-JNSHVCFRSA-N > C29H34O10 > 542.581 > 542.215197295 > 8 > 73 > 53.41747449674351 > 1 > 2 > 0 > 0 > (1R,2Z,4E,8R,9R,10R,11S,15S,18S,24R,26S,27S)-26,27-dihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaspiro[hexacyclo[21.4.3.1^{8,11}.0^{1,24}.0^{9,18}.0^{13,18}]hentriacontane-10,2'-oxirane]-2,4,13,22-tetraene-6,21-dione > 3.04 > 1.4646812140000005 > -3.52 > 0 > 7 > 0 > 13.05523718173777 > 11.26552610233122 > -3.764751702216843 > 133.28 > 137.6476 > 0 > 0 > 1.63e-01 g/l > (1R,2Z,4E,8R,9R,10R,11S,15S,18S,24R,26S,27S)-26,27-dihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaspiro[hexacyclo[21.4.3.1^{8,11}.0^{1,24}.0^{9,18}.0^{13,18}]hentriacontane-10,2'-oxirane]-2,4,13,22-tetraene-6,21-dione > 0 > NP0330380 > (1r,2z,4e,8r,9r,10r,11s,15s,18s,22z,24r,26s,27s)-26,27-dihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaspiro[hexacyclo[21.4.3.1⁸,¹¹.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]hentriacontane-10,2'-oxirane]-2,4,13,22-tetraene-6,21-dione $$$$