Summary

Molecular formula: C46H54O7
SMILES: CC([C@H](/C=C/[C@H]([C@H]1CCC2[C@]1(C)CC=C1C2=C[C@@H]([C@@]23[C@]1(C)CCC[C@H]3O2)Oc1ccc2c(c1O)oc1c(c2=O)c(O)c2c(c1)OC(C=C2)(C)C)C)C)C
InChI: InChI=1S/C46H54O7/c1-24(2)25(3)11-12-26(4)30-14-15-31-29-22-37(46-36(53-46)10-9-19-45(46,8)32(29)18-21-44(30,31)7)50-33-16-13-28-40(48)38-35(51-42(28)41(33)49)23-34-27(39(38)47)17-20-43(5,6)52-34/h11-13,16-18,20,22-26,30-31,36-37,47,49H,9-10,14-15,19,21H2,1-8H3/b12-11+/t25-,26+,30+,31?,36+,37-,44+,45+,46-/m0/s1
InChIKey: ZKMDONNTPNURKG-FGZFDVECSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccc(OC3C=C4C(=CCC5CCCC45)C4CCCC5OC354)cc2oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCC(OC3CC4C5CCCC5CCC4C4CCCC5OC354)CC2OC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C2CCC(CC3CC4C5CCCC5CCC4C4CCCC5CC354)CC2CC2CC3CCCCC3CC21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ergostane steroids

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Synonymous chemical names:
amauroamoienin

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Chemical structure download