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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > [(1'r,3'r,4'r,6'r,12's,13's,16'r,18's,21'r)-1,4',6',12',17',17'-hexamethyl-18'-[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > [(1'r,3'r,4'r,6'r,12's,13's,16'r,18's,21'r)-1,4',6',12',17',17'-hexamethyl-18'-[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

Preferred term

[(1'r,3'r,4'r,6'r,12's,13's,16'r,18's,21'r)-1,4',6',12',17',17'-hexamethyl-18'-[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H56O10

inchi

  • InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18?,20-,21?,22+,23+,24+,25-,26?,27+,28-,29?,30?,32+,33?,34-,35-,36+,37?/m1/s1

inchikey

  • GCMGJWLOGKSUGX-IFPHGTFESA-N

mass

  • 660.845

monoisotopicmass

  • 660.38735

smiles

  • O([C@H]1[C@]2([C@]([C@]3([C@]4([C@]5(C4)[C@@](CC3)(C([C@@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)CC5)(C)C)[H])C1)[H])(CC7OC8(OCC9(OC89)C)CC(C27)C)C)C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181569

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