Mrv1652309082215582D 33 38 0 0 1 0 999 V2000 -0.8025 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2298 1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 1.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1212 2.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 1.1671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6056 2.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 2.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9212 0.4021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7441 0.4605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3832 -0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 0.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2129 0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 1.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6430 1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 1.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 1.0856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0553 1.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 0.4304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8381 -0.2336 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 18 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 17 30 1 0 0 0 0 10 30 1 0 0 0 0 30 31 1 1 0 0 0 32 14 1 6 0 0 0 7 32 1 0 0 0 0 32 33 1 0 0 0 0 2 33 1 0 0 0 0 M END > NP0268748 > NP-MRD > CC1(C)CC(O)[C@@]23CC[C@]4(OC2=O)C(=CC[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3C1 > InChI=1S/C29H44O4/c1-24(2)15-18-17-7-8-20-26(5)11-10-21(30)25(3,4)19(26)9-12-27(20,6)29(17)14-13-28(18,22(31)16-24)23(32)33-29/h7,18-22,30-31H,8-16H2,1-6H3/t18-,19-,20+,21-,22?,26-,27+,28-,29-/m0/s1 > RWAXCCHQQDWVCF-JVGBDFKTSA-N > C29H44O4 > 456.667 > 456.323959897 > 3 > 77 > 37.316728528511774 > 1 > 2 > 0 > 0 > (1R,2R,5R,7S,10S,11R,15S,20S)-7,19-dihydroxy-2,6,6,10,17,17-hexamethyl-22-oxahexacyclo[18.2.2.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tetracos-13-en-21-one > 4.725054066000003 > 0 > 6 > 0 > 19.4894332874812 > 14.419280815888083 > -0.8351216821234092 > 66.76 > 128.5468 > 0 > 1 > (1R,2R,5R,7S,10S,11R,15S,20S)-7,19-dihydroxy-2,6,6,10,17,17-hexamethyl-22-oxahexacyclo[18.2.2.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tetracos-13-en-21-one > 0 > NP0268748 > (1r,2r,5r,7s,10s,11r,15s,20s)-7,19-dihydroxy-2,6,6,10,17,17-hexamethyl-22-oxahexacyclo[18.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tetracos-13-en-21-one $$$$