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Concept information

Preferred term

15alpha-acetyl-dehydrosulphurenic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50O7

inchi

  • InChI=1S/C34H50O7/c1-19(2)20(3)10-11-23(30(38)39)26-18-29(40-21(4)35)33(8)25-12-13-27-31(6,24(25)14-17-32(26,33)7)16-15-28(37)34(27,9)41-22(5)36/h12,14,19,23,26-29,37H,3,10-11,13,15-18H2,1-2,4-9H3,(H,38,39)/t23-,26-,27?,28+,29+,31-,32-,33-,34+/m1/s1

inchikey

  • VYLJAYZXXSJLRX-ZWKBOAIUSA-N

mass

  • 570.767

monoisotopicmass

  • 570.35565

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C([C@](OC(=O)C)([C@@H](O)CC4)C)CC3)C)=CC2)(C)[C@H](C1)OC(=O)C)C)CCC(=C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3S,4S,10S,13R,14R,15S,17R)-4,15-diacetyloxy-3-hydroxy-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215438

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