Molecule Info: (6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Smiles:
CC1(C2CCC(CC2C3=C(C=C(C=C3O1)C(C)(C)CCCCCCN=C=S)O)CO)C
InChIKey:
JCIYJYHFBBXSBF-HMXCVIKNSA-N
InChI:
InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1
InChIcol:
1
More information (from its Standard Form):
(6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Complex structures in which this molecule appears :
Complex Structure ID: 969
Image of the Specific State
