Mrv1652309022206082D 28 31 0 0 1 0 999 V2000 2.1423 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 -0.4770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2476 -1.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 -1.2879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8744 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 -1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -1.2659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2459 -0.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4319 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 -1.4005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5076 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -1.7215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2547 -2.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 -1.2363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2185 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -1.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 -1.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 -2.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5863 -2.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -2.2831 0.0000 O 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 1 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 2 0 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 16 28 1 6 0 0 0 M END > NP0148400 > NP-MRD > CC(=O)OC[C@]1(C)OO[C@](O)(C=C1)[C@@]1(C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@H]1CCC2=C > InChI=1S/C22H32O6/c1-14-6-7-18-21(5,26-18)9-8-17-16(14)12-20(17,4)22(24)11-10-19(3,27-28-22)13-25-15(2)23/h10-11,16-18,24H,1,6-9,12-13H2,2-5H3/t16-,17-,18-,19+,20-,21-,22+/m0/s1 > UMAFMVJKBJNJKP-XZNYGTFNSA-N > C22H32O6 > 392.492 > 392.21988875 > 5 > 60 > 42.364188128791795 > 1 > 1 > 0 > 1 > [(3R,6R)-6-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-12-yl]-6-hydroxy-3-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl acetate > 3.27 > 3.482193721666667 > -4.54 > 0 > 4 > 0 > 10.495218661843632 > -4.155759597037733 > 77.52 > 103.0594 > 4 > 1 > 1.12e-02 g/l > [(3R,6R)-6-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-12-yl]-6-hydroxy-3-methyl-1,2-dioxin-3-yl]methyl acetate > 0 > NP0148400 > [(3r,6r)-6-[(1s,4s,6s,10r,12s)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl]-6-hydroxy-3-methyl-1,2-dioxin-3-yl]methyl acetate $$$$