Mrv1652305312218012D 41 45 0 0 1 0 999 V2000 -1.1317 -5.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3473 -4.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5182 -5.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 -4.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -4.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -3.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 -4.7037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2662 -5.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 -3.6410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1769 -3.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -4.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 -4.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 -3.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 -3.5235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6469 -4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 -2.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -4.2769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8036 -5.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -4.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9519 -3.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 -3.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -3.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9291 -4.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7497 -4.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4447 -5.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1865 -5.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2179 -5.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 -5.1160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9603 -5.8694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 -5.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 -5.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 -4.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4987 -5.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -4.8591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1632 -5.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 -5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 -4.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2216 -4.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -5.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 7 2 1 6 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 1 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 1 0 0 0 16 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 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 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 21 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 19 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 14 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 13 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 7 41 1 0 0 0 0 M END > NP0137643 > NP-MRD > [H][C@](O)(C(C)=C)[C@]1([H])C[C@@]([H])(C)C2=C3C[C@]([H])(O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]4(C)[C@@]3(C)C[C@]2([H])O1 > InChI=1S/C30H46O4/c1-16(2)25(33)20-13-17(3)24-18-14-19(31)26-28(6)11-10-23(32)27(4,5)22(28)9-12-29(26,7)30(18,8)15-21(24)34-20/h17,19-22,25-26,31,33H,1,9-15H2,2-8H3/t17-,19+,20+,21+,22+,25+,26+,28+,29+,30+/m1/s1 > MRBFVJVQQIVGMY-CDJAXXMBSA-N > C30H46O4 > 470.694 > 470.339609961 > 4 > 80 > 55.66898364774088 > 1 > 2 > 0 > 0 > (1S,2R,4S,6S,8R,12S,13S,14S,19R)-12-hydroxy-6-[(1S)-1-hydroxy-2-methylprop-2-en-1-yl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{14,19}]henicos-9-en-17-one > 4.644546931333333 > 0 > 5 > 0 > 19.93744400689444 > 13.637290415801214 > -0.33932461371323497 > 66.76 > 135.1248 > 2 > 1 > (1S,2R,4S,6S,8R,12S,13S,14S,19R)-12-hydroxy-6-[(1S)-1-hydroxy-2-methylprop-2-en-1-yl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{14,19}]henicos-9-en-17-one > 0 > NP0137643 > 25-Anhydroalisol F $$$$