Mrv1533004241514142D 64 71 0 0 0 0 999 V2000 -2.2237 -0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 -1.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -2.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -0.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 0.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -0.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 -2.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7475 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 -1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3973 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 -2.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6969 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3499 -1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2395 -1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 -1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9245 -2.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1202 -2.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 -3.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 -4.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -3.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4704 -2.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 -3.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 -2.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -3.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -3.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0174 -4.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -3.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5459 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 -2.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0032 -3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1673 -3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9480 -3.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1072 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8878 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 -1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5093 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2899 -2.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -3.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9714 -4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5694 -3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4101 -4.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 -2.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -3.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 -2.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 -3.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -2.1629 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 1 0 0 0 0 4 5 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 7 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 6 13 1 0 0 0 0 13 14 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 18 19 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 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 18 40 1 0 0 0 0 40 41 1 0 0 0 0 15 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 28 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 48 57 1 0 0 0 0 57 58 1 0 0 0 0 4 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 2 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > NP0295157 > NP-MRD > CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C4CCC5C6(C)CCC(C6C(O)CC5(C)C4(C)CC(=O)C3C2(C)C)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C47H78O17/c1-20-30(52)33(55)35(57)39(60-20)63-37-31(53)24(51)19-59-41(37)62-28-13-15-45(7)27-11-10-26-44(6)14-12-21(43(4,5)64-40-36(58)34(56)32(54)25(18-48)61-40)29(44)22(49)16-46(26,8)47(27,9)17-23(50)38(45)42(28,2)3/h20-22,24-41,48-49,51-58H,10-19H2,1-9H3 > VWDCLHSRKDIWAZ-UHFFFAOYSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 99.29906396888043 > 0 > 10 > 0 > 0 > 17-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-1,2,9,14,18,18-hexamethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-20-one > 0.63 > 0.5352539683333326 > -3.62 > 1 > 8 > 0 > 12.343162041143362 > 11.866403475246658 > -3.5268774588030167 > 274.74999999999994 > 224.88340000000014 > 8 > 0 > 2.18e-01 g/l > 17-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-1,2,9,14,18,18-hexamethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-20-one > 0 > NP0295157 > 9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-7-one $$$$