Mrv1652309052220192D 36 40 0 0 1 0 999 V2000 3.5724 -4.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -3.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 -2.8421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7622 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 -0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2728 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -0.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7032 -0.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 0.1202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5734 0.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1971 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9711 1.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1631 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -2.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -3.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -2.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -2.6861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6525 -3.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -4.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -4.6917 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 4 2 1 1 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 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 18 15 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 11 30 1 0 0 0 0 30 31 2 0 0 0 0 7 31 1 0 0 0 0 31 32 1 0 0 0 0 4 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 M END > NP0217848 > NP-MRD > CO[C@H]([C@@H]1OC1(C)C)C1=C2OC3=CC(C)=C4OC[C@@H]([C@@H](OC(C)=O)C4=C3C(=O)C2=C(O)C=C1)C(C)=C > InChI=1S/C28H30O8/c1-12(2)16-11-33-23-13(3)10-18-20(21(23)25(16)34-14(4)29)22(31)19-17(30)9-8-15(24(19)35-18)26(32-7)27-28(5,6)36-27/h8-10,16,25-27,30H,1,11H2,2-7H3/t16-,25-,26+,27+/m1/s1 > SFYPAIOIHIQQBW-PCSAQGNASA-N > C28H30O8 > 494.54 > 494.194067926 > 6 > 66 > 52.742513924304724 > 1 > 1 > 0 > 0 > (3S,4R)-9-[(S)-[(2S)-3,3-dimethyloxiran-2-yl](methoxy)methyl]-6-hydroxy-12-methyl-5-oxo-3-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-4-yl acetate > 4.621030158333332 > 1 > 5 > 0 > 8.347981631201696 > -3.510206581714605 > 103.82000000000002 > 131.21810000000002 > 6 > 1 > (3S,4R)-9-[(S)-[(2S)-3,3-dimethyloxiran-2-yl](methoxy)methyl]-6-hydroxy-12-methyl-5-oxo-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1,10-dioxatetraphen-4-yl acetate > 0 > NP0217848 > (3s,4r)-9-[(s)-[(2s)-3,3-dimethyloxiran-2-yl](methoxy)methyl]-6-hydroxy-12-methyl-5-oxo-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-4-yl acetate $$$$