ChEBI Marvin 12110616252D 36 41 0 0 1 0 999 V2000 9.5047 -5.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2191 -6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6481 -6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 -5.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 -3.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6481 -3.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8616 -4.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2191 -4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5047 -5.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7902 -6.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3466 -4.2948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8315 -4.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 -4.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6481 -4.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6481 -5.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 -4.7073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0770 -5.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8616 -3.6274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7697 -2.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 -3.8823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0770 -3.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 -5.1198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3625 -4.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9336 -5.1198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9336 -4.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9336 -5.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9336 -6.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3466 -2.9599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1627 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8456 -3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5601 -3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8456 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 -3.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1312 -2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5601 -2.3898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2746 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 1 9 1 0 0 0 0 9 2 1 0 0 0 0 26 2 1 0 0 0 0 26 3 1 0 0 0 0 3 4 1 0 0 0 0 22 4 1 0 0 0 0 5 6 1 0 0 0 0 20 5 1 0 0 0 0 14 6 1 0 0 0 0 16 7 1 0 0 0 0 11 7 1 0 0 0 0 24 8 1 0 0 0 0 9 10 1 1 0 0 0 18 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 6 0 0 0 33 13 1 0 0 0 0 14 24 1 0 0 0 0 22 14 1 0 0 0 0 14 15 1 6 0 0 0 16 22 1 0 0 0 0 16 20 1 0 0 0 0 16 17 1 6 0 0 0 20 18 1 0 0 0 0 18 28 1 0 0 0 0 18 19 1 6 0 0 0 20 21 1 1 0 0 0 22 23 1 1 0 0 0 24 26 1 0 0 0 0 24 25 1 1 0 0 0 26 27 1 1 0 0 0 28 33 1 0 0 0 0 28 29 1 6 0 0 0 30 31 1 0 0 0 0 33 30 1 1 0 0 0 31 35 1 0 0 0 0 35 32 1 0 0 0 0 32 34 1 0 0 0 0 33 34 1 6 0 0 0 35 36 1 6 0 0 0 M END > CHEBI:28933 > (25R)-5beta-spirostan-3beta-ol > An oxaspiro compound that is(5β,25R)-spirostan substituted by a β-hydroxy group at position 3. > 3 > CHEBI:9174; CHEBI:18536 > Smilagenin; Isosarsapogenin; (25R)-5beta-Spirostan-3beta-ol; (25R)-5beta-spirostan-3beta-ol > (3beta,5beta,25R)-spirostan-3-ol > C27H44O3 > 416.63646 > 416.32905 > 0 > [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2 > InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 > GMBQZIIUCVWOCD-UQHLGXRBSA-N > 126-18-1 > 91753 > 126-18-1 > C08913 > C00003592 > LMST01080005 > 17996228; 18676061; 22441042; 23624370 $$$$