Mrv0541 02241218022D 38 43 0 0 0 0 999 V2000 -2.2380 -2.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 0.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -2.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -1.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9653 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 2.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0603 2.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 -2.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 -0.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6492 0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 19 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 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 38 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 M END > NP0276625 > NP-MRD > CC1OC(CC(O)C1O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1 > InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3 > QBILRDAMJUPXCX-UHFFFAOYSA-N > C29H42O9 > 534.6384 > 534.282882942 > 8 > 57.94584883728218 > 1 > 4 > 0 > 0 > 5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0.20 > 1.045049546666666 > -3.42 > 0 > 6 > 0 > 13.104915684586707 > 7.182635668719507 > 0.26898106528242993 > 142.75 > 135.27579999999998 > 4 > 0 > 2.02e-01 g/l > 5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-15-methyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0276625 > 7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde $$$$