Mrv1652309122216242D 36 42 0 0 1 0 999 V2000 -1.7208 1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 0.5204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1122 0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -0.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2925 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -0.7938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4125 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7415 -0.0287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0608 0.0922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1980 0.9433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5651 1.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 0.6957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5088 1.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 -0.1231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1890 -0.1757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8229 0.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 0.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9268 1.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -0.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6589 -0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -0.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0978 -1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.8098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7036 -1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 -0.2314 0.0000 O 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 1 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 12 6 1 1 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 19 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 1 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 19 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 18 32 1 0 0 0 0 9 32 1 0 0 0 0 32 33 1 6 0 0 0 6 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 4 36 1 0 0 0 0 M END > NP0329738 > NP-MRD > CC1(C)[C@@H]2C[C@@]3(CC[C@]4(C)[C@@H]5[C@@H]3[C@@H]1O[C@]5(O)C[C@@H]1[C@@]3(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]3CC[C@@]41C)C(=O)O2 > InChI=1S/C30H46O6/c1-24(2)16-8-9-27(6)17(26(16,5)12-15(31)21(24)32)13-30(34)20-19-22(36-30)25(3,4)18-14-29(19,23(33)35-18)11-10-28(20,27)7/h15-22,31-32,34H,8-14H2,1-7H3/t15-,16+,17-,18+,19-,20+,21-,22+,26+,27-,28-,29-,30-/m1/s1 > VIQDRZSWHSCWQV-JQHOKMTCSA-N > C30H46O6 > 502.692 > 502.329439201 > 5 > 82 > 56.19723414674793 > 1 > 3 > 0 > 0 > (1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,21S)-10,11,16-trihydroxy-4,5,9,9,13,20,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.1^{16,19}.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]pentacosan-23-one > 3.5265145629999983 > 0 > 7 > 0 > 13.633594744178446 > 11.797181230361847 > -3.1598114073840495 > 96.22000000000001 > 133.31310000000002 > 0 > 0 > (1R,4R,5R,8R,10S,11R,13R,14R,16R,17S,18S,19S,21S)-10,11,16-trihydroxy-4,5,9,9,13,20,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.1^{16,19}.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]pentacosan-23-one > 0 > NP0329738 > (1r,4r,5r,8r,10s,11r,13r,14r,16r,17s,18s,19s,21s)-10,11,16-trihydroxy-4,5,9,9,13,20,20-heptamethyl-22,25-dioxaheptacyclo[19.2.1.1¹⁶,¹⁹.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosan-23-one $$$$