Mrv1652309102215022D 27 31 0 0 1 0 999 V2000 6.6415 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 0.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2364 0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 0.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5592 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 0.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0125 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 0.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5777 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -0.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 -0.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8634 -0.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 -1.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6192 -1.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5595 -2.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7385 -0.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4213 -0.5786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0558 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 -1.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6162 -1.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.5849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4656 -0.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8515 -1.4305 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 0 0 0 0 4 3 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 1 0 0 0 13 11 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 17 16 1 6 0 0 0 18 17 1 0 0 0 0 19 18 1 6 0 0 0 19 8 1 0 0 0 0 13 19 1 0 0 0 0 18 20 1 6 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 4 1 6 0 0 0 25 26 1 0 0 0 0 26 2 1 0 0 0 0 26 27 1 6 0 0 0 M END > NP0300570 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)[C@@]13[C@@H](O)O[C@@](C)([C@@H]1[C@@H]1[C@H](C[C@H]3O)C1(C)C)[C@H]2O > InChI=1S/C20H32O7/c1-7-6-19(26)11(12(7)22)14(23)20-9(21)5-8-10(17(8,2)3)13(20)18(4,15(19)24)27-16(20)25/h7-16,21-26H,5-6H2,1-4H3/t7-,8-,9+,10-,11+,12-,13-,14+,15+,16-,18-,19+,20-/m0/s1 > WMPSCHGUEWDFTI-XQVOAULGSA-N > C20H32O7 > 384.469 > 384.21480337 > 7 > 59 > 42.61162597629901 > 1 > 6 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9S,10R,11S,13S,15R,16S)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecane-2,4,7,8,15,16-hexol > -1.4733856019999991 > 0 > 5 > 0 > 12.79267173801938 > 11.728378681791941 > -3.0082753914354683 > 130.61 > 93.68910000000001 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9S,10R,11S,13S,15R,16S)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecane-2,4,7,8,15,16-hexol > 0 > NP0300570 > (1r,2r,3r,4s,5s,7r,8s,9s,10r,11s,13s,15r,16s)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecane-2,4,7,8,15,16-hexol $$$$