Mrv0541 05061307502D 30 32 0 0 0 0 999 V2000 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -4.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -4.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 -3.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -6.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 -4.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -5.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 12 2 1 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 13 4 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 15 10 2 0 0 0 0 16 8 1 0 0 0 0 16 15 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 22 11 1 0 0 0 0 22 17 1 0 0 0 0 22 20 1 0 0 0 0 23 14 2 0 0 0 0 24 18 2 0 0 0 0 25 19 2 0 0 0 0 26 9 1 0 0 0 0 26 18 1 0 0 0 0 27 10 1 0 0 0 0 27 21 1 0 0 0 0 28 11 1 0 0 0 0 28 22 1 0 0 0 0 29 14 1 0 0 0 0 29 17 1 0 0 0 0 30 19 1 0 0 0 0 30 21 1 0 0 0 0 M END > NP0137442 > NP-MRD > CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C21CO1 > InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3 > PHHROXLDZHUIGO-UHFFFAOYSA-N > C22H32O8 > 424.4847 > 424.209718 > 5 > 44.53444930817217 > 1 > 0 > 0 > 1 > 6-(acetyloxy)-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-4-ylmethyl 3-methylbutanoate > 2.76 > 2.486195475666666 > -4.14 > 1 > 3 > 0 > -4.139397746784327 > 100.66000000000001 > 104.55789999999999 > 11 > 1 > 3.05e-02 g/l > didrovaltrate > 0 > NP0137442 > Didrovaltrate $$$$