Mrv1652309072217372D 44 49 0 0 1 0 999 V2000 0.0562 -2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -2.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -3.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4726 -3.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -3.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 -3.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7241 -2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 -1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8971 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 -0.2441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0373 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -0.2709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0083 0.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8256 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 1.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8929 2.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3993 3.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 3.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1995 -1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3047 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1486 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 2 0 0 0 0 5 13 1 0 0 0 0 2 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 23 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 41 40 1 1 0 0 0 18 41 1 0 0 0 0 41 42 1 0 0 0 0 15 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M END > NP0252194 > NP-MRD > COC1=CC(\C=C\C(=C)O[C@H]2CCC34CC33CC[C@]5(C)[C@H](CC[C@@]5(C)[C@@H]3CC[C@H]4C2(C)C)[C@H](C)CCC=C(C)C)=CC=C1O > InChI=1S/C41H60O3/c1-27(2)11-10-12-28(3)31-19-21-39(8)35-18-17-34-37(5,6)36(20-22-40(34)26-41(35,40)24-23-38(31,39)7)44-29(4)13-14-30-15-16-32(42)33(25-30)43-9/h11,13-16,25,28,31,34-36,42H,4,10,12,17-24,26H2,1-3,5-9H3/b14-13+/t28-,31-,34+,35+,36+,38-,39+,40?,41?/m1/s1 > NVJPRQASQAPOJJ-WSAVZUCRSA-N > C41H60O3 > 600.928 > 600.454245792 > 3 > 104 > 75.08357663608666 > 0 > 1 > 0 > 0 > 2-methoxy-4-[(1E)-3-{[(6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}buta-1,3-dien-1-yl]phenol > 10.284146908333334 > 1 > 6 > 0 > 9.932949109449337 > -4.542988393746993 > 38.69 > 184.92240000000004 > 9 > 0 > 2-methoxy-4-[(1E)-3-{[(6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}buta-1,3-dien-1-yl]phenol > 1 > NP0252194 > 2-methoxy-4-[(1e)-3-{[(6s,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}buta-1,3-dien-1-yl]phenol $$$$