CDK 1018121544 32 35 0 0 0 0 0 0 0 0999 V2000 28.7708 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4875 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2125 0.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0625 -1.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2000 -0.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7708 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4875 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0000 0.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0625 -2.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.4958 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9875 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0708 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6167 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3458 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4750 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7708 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3458 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2625 1.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.4250 0.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6375 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6375 -2.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0542 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9708 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9208 -2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7125 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6875 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7083 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7792 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0583 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1958 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8250 0.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 18 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 3 20 1 1 0 0 0 21 14 1 0 0 0 0 22 17 1 0 0 0 0 4 23 1 1 0 0 0 24 19 1 0 0 0 0 22 25 1 1 0 0 0 18 26 1 6 0 0 0 19 27 1 6 0 0 0 28 24 1 0 0 0 0 29 24 1 0 0 0 0 9 30 1 6 0 0 0 5 31 1 6 0 0 0 8 32 1 6 0 0 0 5 3 1 0 0 0 0 16 9 1 0 0 0 0 8 15 1 0 0 0 0 22 21 1 0 0 0 0 M END > CHEBI:70316 > Ergosterol D > A natural product found in Taiwanofungus camphoratus. > 2 > C28H44O > 396.64840 > 396.33922 > 0 > [H][C@@]12CC=C3C(=CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2 > InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,14,18-22,24-25,29H,9,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,27-,28+/m0/s1 > XSMGJKKUFBTARU-MJXYXNKESA-N > 21028898 $$$$