Ketcher 01072210052D 1 1.00000 0.00000 0 38 41 0 1 0 999 V2000 12.3275 -8.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5104 -6.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9153 -7.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6444 -7.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5104 -7.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 -7.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 -6.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 -8.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 -9.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6595 -9.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5104 -8.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 -9.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0584 -7.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7636 -8.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -9.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4187 -9.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -10.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7135 -8.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9723 -7.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -10.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 -11.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7916 -6.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7916 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6577 -5.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9256 -5.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9256 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0595 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0595 -6.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1935 -5.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1935 -4.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3275 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4614 -5.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3275 -6.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0347 -6.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6444 -8.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6444 -9.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 11 1 0 0 0 8 6 1 0 0 0 8 1 1 0 0 0 6 35 1 0 0 0 6 2 1 0 0 0 3 1 1 0 0 0 37 4 1 0 0 0 35 3 1 0 0 0 2 4 1 0 0 0 11 5 1 1 0 0 6 7 1 1 0 0 8 9 1 6 0 0 37 19 1 0 0 0 17 22 1 0 0 0 22 21 1 0 0 0 21 10 1 0 0 0 10 11 1 0 0 0 11 37 1 0 0 0 19 12 1 0 0 0 17 19 1 0 0 0 13 17 1 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 15 13 1 0 0 0 15 16 1 6 0 0 17 18 1 6 0 0 19 20 1 1 0 0 22 23 2 0 0 0 35 33 1 0 0 0 33 31 1 0 0 0 31 29 1 0 0 0 29 27 1 0 0 0 27 25 1 0 0 0 25 24 1 0 0 0 25 26 1 0 0 0 27 28 1 1 0 0 29 30 1 1 0 0 31 32 1 1 0 0 33 34 1 6 0 0 35 36 1 6 0 0 37 38 1 6 0 0 M END > CHEBI:185407 > 7-oxatyphasterol > A brassinosteroid that is brassinolide in which the hydroxy group at position 2 has been replaced by a hydrogen atom. > 3 > CHEBI:81307; CHEBI:175661 > 7-oxotyphasterol; 7-oxatyphasterol; 3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone; 2-deoxybrassinolide; (22R,23R,24S)-3alpha,22,23-trihydroxy-7-oxa-5alpha-ergostane-6-one; (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0(2,7).0(12,16)]octadecan-8-one > (3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one > C28H48O5 > 464.687 > 464.35017 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C > InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1 > LLFIMDUWAVPJEJ-AVWWTISCSA-N > 144071-55-6 > C17735 > LMST01140003 > CPD-12497 > 18685225; 33833350 $$$$