Marvin 09301311532D 26 27 0 0 0 0 999 V2000 10.1547 -5.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5701 -6.0014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9811 -5.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7023 -9.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 -9.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8628 -8.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0779 -8.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3574 -8.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8599 -6.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2842 -6.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1027 -6.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5174 -7.1227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1098 -7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2844 -7.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1477 -6.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4272 -6.5705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9256 -7.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -7.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 -8.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1461 -10.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3398 -7.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7545 -7.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7472 -6.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7717 -9.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9208 -6.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 -6.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 13 14 1 0 0 0 0 14 6 1 0 0 0 0 8 4 1 0 0 0 0 9 15 1 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 2 1 1 6 0 0 0 16 17 1 0 0 0 0 9 2 1 0 0 0 0 17 18 2 0 0 0 0 3 2 1 0 0 0 0 8 19 1 0 0 0 0 19 17 1 0 0 0 0 2 10 1 0 0 0 0 5 20 2 0 0 0 0 4 5 1 0 0 0 0 12 21 1 0 0 0 0 10 11 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 11 12 1 0 0 0 0 8 24 1 1 0 0 0 5 6 1 0 0 0 0 12 25 1 6 0 0 0 12 13 1 0 0 0 0 16 26 1 6 0 0 0 M END > CHEBI:68871 > rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),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 7. It has been isolated from the leaves of Croton gratissimus. > 3 > (+)-(4S*,5E,7S*,10R*,13R*)-4,7,10-trihydroxy-7-methyl-11-methylidene-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one > C20H30O5 > 350.44920 > 350.20932 > 0 > CC(C)[C@@]1(O)CCC2=C[C@@H](CC(=C)[C@H](O)CC[C@](C)(O)\C=C\1)OC2=O > InChI=1S/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17-,19+,20-/m1/s1 > LOIIZBXZZSSECJ-CLUKBVHOSA-N > 22032651 $$$$