CDK 1018121543 28 31 0 0 0 0 0 0 0 0999 V2000 11.0696 -8.5606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6407 -8.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3552 -8.1481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6450 -9.3899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8947 -8.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7841 -8.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6134 -7.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0696 -9.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3552 -9.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7884 -7.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9306 -9.7981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3510 -7.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2678 -11.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0696 -6.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 -10.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -6.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6846 -10.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -11.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -8.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7841 -9.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -7.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 -9.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 -8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -10.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 -11.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -8.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -10.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7841 -6.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 1 5 1 1 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 17 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 1 0 0 0 16 7 2 0 0 0 0 17 15 1 0 0 0 0 18 13 2 0 0 0 0 19 2 1 0 0 0 0 8 20 1 6 0 0 0 2 21 1 6 0 0 0 22 11 1 0 0 0 0 23 19 1 0 0 0 0 24 11 1 0 0 0 0 25 13 1 0 0 0 0 3 26 1 1 0 0 0 4 27 1 1 0 0 0 10 7 1 0 0 0 0 9 4 1 0 0 0 0 12 14 1 0 0 0 0 22 23 1 0 0 0 0 10 28 1 1 0 0 0 M END > CHEBI:69105 > ent-7alpha-hydroxy-18-acetoxykaur-16-ene > A natural product found in Croton tonkinensis. > 2 > C22H34O3 > 346.50360 > 346.25079 > 0 > [H][C@@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])C[C@@H](O)[C@@]3(CC1=C)C2 > InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-25-15(2)23)18(21)10-19(22)24/h16-19,24H,1,5-13H2,2-4H3/t16-,17-,18+,19+,20+,21-,22-/m0/s1 > DVQAFABFSBJZIB-NXWUBYMWSA-N > 22085418 $$$$