Mrv1533004171506132D 50 56 0 0 0 0 999 V2000 7.7529 0.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 -0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3549 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7414 0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9123 1.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 2.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8307 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 -1.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6917 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 1.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 2.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7001 3.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5434 2.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 3.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 2.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 1.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2301 1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 2.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 1.2196 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 6 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 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 26 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 22 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 20 43 1 0 0 0 0 43 44 1 0 0 0 0 16 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 15 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 11 50 1 0 0 0 0 M END > NP0160950 > NP-MRD > COC(C)(C)C(OC(C)=O)C1CC(C)C2C3(C)CCC45CC44C(O)CC(OC6OCC(O)C(O)C6O)C(C)(C)C4CCC5C3(C)C(O)C2(O)O1 > InChI=1S/C38H62O12/c1-18-14-21(29(48-19(2)39)33(5,6)46-9)50-38(45)28(18)34(7)12-13-36-17-37(36)22(10-11-23(36)35(34,8)31(38)44)32(3,4)25(15-24(37)41)49-30-27(43)26(42)20(40)16-47-30/h18,20-31,40-45H,10-17H2,1-9H3 > CDVLNJHGGOFODI-UHFFFAOYSA-N > C38H62O12 > 710.902 > 710.424127436 > 11 > 112 > 78.45738162691413 > 0 > 6 > 0 > 0 > 2-methoxy-2-methyl-1-{10,11,20-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl}propyl acetate > 2.14 > 1.602373952666666 > -4.14 > 1 > 7 > 0 > 12.246287900041345 > 10.882180423902028 > -2.978112911995079 > 184.6 > 178.38010000000008 > 7 > 0 > 5.19e-02 g/l > 2-methoxy-2-methyl-1-{10,11,20-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl}propyl acetate > 0 > NP0160950 > 2-methoxy-2-methyl-1-{10,11,20-trihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-8-yl}propyl acetate $$$$