Mrv1652309052202482D 25 27 0 0 1 0 999 V2000 5.6524 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.2765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2316 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 1.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 2.5745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2027 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 1.8123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8073 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 3.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 2.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 3.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 1.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 1.2765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1157 0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 3.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 3.6524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4405 4.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 3.3367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7860 3.9201 0.0000 C 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 4 3 1 6 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 1 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 6 0 0 0 M END > NP0205001 > NP-MRD > COC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)CC3=C(C[C@H](O)[C@]3(C)\C=C1/2)C(C)C > InChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/b17-10+/t13-,14+,18+,19+,20-,21+/m1/s1 > LJCHDOYLNWEGEZ-DFDBWPMISA-N > C21H34O4 > 350.499 > 350.245709575 > 4 > 59 > 40.76855306353185 > 1 > 3 > 0 > 1 > (3R,4S,9S,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-diene-4,9,14-triol > 1.5235737909999998 > 0 > 3 > 0 > 19.432934573091057 > 13.441815166690333 > -0.47956665121293074 > 69.92 > 100.3119 > 3 > 1 > (3R,4S,9S,10R,11S,14R)-6-isopropyl-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.0^{3,7}]tetradeca-1,6-diene-4,9,14-triol > 0 > NP0205001 > (1e,3r,4s,9s,10r,11s,14r)-6-isopropyl-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradeca-1,6-diene-4,9,14-triol $$$$