Mrv1652309082213402D 34 38 0 0 1 0 999 V2000 7.3145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6827 -1.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 6 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 27 34 1 0 0 0 0 16 34 1 0 0 0 0 M END > NP0267028 > NP-MRD > CC(C)[C@@H]1CC2=CC3=C(C=C2C2=C(O)C=C(C)C=C12)C(=O)[C@](O)(C(C)C)C1=CC(C)=CC(O)=C31 > InChI=1S/C30H32O4/c1-14(2)19-11-18-12-22-23(13-20(18)27-21(19)7-16(5)9-25(27)31)29(33)30(34,15(3)4)24-8-17(6)10-26(32)28(22)24/h7-10,12-15,19,31-32,34H,11H2,1-6H3/t19-,30-/m0/s1 > GHGBTTUQCWRTSZ-ADSBAMQRSA-N > C30H32O4 > 456.582 > 456.23005951 > 4 > 66 > 52.63954219418214 > 1 > 3 > 0 > 0 > (10S,21S)-5,10,16-trihydroxy-7,18-dimethyl-10,21-bis(propan-2-yl)pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one > 7.292976577999999 > 0 > 5 > 0 > 9.842784530246524 > 8.546706206888354 > -4.0256851947052015 > 77.76 > 136.46679999999998 > 2 > 0 > (10S,21S)-5,10,16-trihydroxy-10,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one > 0 > NP0267028 > (10s,21s)-5,10,16-trihydroxy-10,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one $$$$