Mrv1652309082219192D 26 29 0 0 1 0 999 V2000 2.7779 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 -1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3618 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6382 0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 -0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 0.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1801 -0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -0.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 1.0079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6146 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.7920 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 2 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 5 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 24 23 1 6 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 13 26 1 0 0 0 0 M END > NP0271138 > NP-MRD > COC1=CC(OCC=C(C)C)=CC2=C1[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CO2 > InChI=1S/C21H22O5/c1-12(2)6-7-24-14-9-18(23-3)20-19(10-14)25-11-16-15-5-4-13(22)8-17(15)26-21(16)20/h4-6,8-10,16,21-22H,7,11H2,1-3H3/t16-,21+/m0/s1 > BFYZUNBXRVPQIE-HRAATJIYSA-N > C21H22O5 > 354.402 > 354.146723808 > 5 > 48 > 39.18582249600977 > 1 > 1 > 0 > 1 > (1R,10R)-3-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol > 3.712798220333333 > 0 > 4 > 0 > 9.552362576653298 > -4.283059018042594 > 57.150000000000006 > 98.64250000000001 > 4 > 1 > (1R,10R)-3-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol > 0 > NP0271138 > (1r,10r)-3-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol $$$$