Marvin 09301312282D 26 27 0 0 0 0 999 V2000 8.1076 -15.1321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 -14.7238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1123 -14.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8408 -12.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 -13.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6697 -12.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3869 -16.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2919 -16.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5510 -15.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -15.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 -15.8160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6033 -13.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9738 -13.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7948 -13.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2109 -14.3070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8021 -15.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9740 -15.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 -13.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 -14.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 -15.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 -17.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0358 -14.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4519 -15.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4446 -13.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 -16.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6156 -13.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 2 1 1 6 0 0 0 15 16 1 0 0 0 0 3 2 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 8 9 1 0 0 0 0 12 18 1 0 0 0 0 9 10 2 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 11 7 1 0 0 0 0 11 20 1 0 0 0 0 20 2 1 0 0 0 0 10 11 1 0 0 0 0 8 21 2 0 0 0 0 7 8 1 0 0 0 0 15 22 1 0 0 0 0 12 5 1 0 0 0 0 22 23 1 0 0 0 0 5 4 1 1 0 0 0 22 24 1 0 0 0 0 5 13 1 0 0 0 0 11 25 1 1 0 0 0 6 5 1 0 0 0 0 15 26 1 6 0 0 0 M END > CHEBI:68873 > rel-(+)-(1S,4R,8S,10R)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide > A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 8. It has been isolated from the leaves of Croton gratissimus. > 3 > (4S*,5E,7R*,9E,11S*,13R*)-4,7,11-trihydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,9-trien-15-one > C20H30O5 > 350.44920 > 350.20932 > 0 > CC(C)[C@@]1(O)CCC2=C[C@@H](C[C@](C)(O)\C=C\C[C@@](C)(O)\C=C\1)OC2=O > InChI=1S/C20H30O5/c1-14(2)20(24)9-6-15-12-16(25-17(15)21)13-19(4,23)8-5-7-18(3,22)10-11-20/h5,8,10-12,14,16,22-24H,6-7,9,13H2,1-4H3/b8-5+,11-10+/t16-,18+,19+,20+/m0/s1 > PZFBVODTZGEVTO-MCERNNHQSA-N > 22032651 $$$$