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Concept information

Preferred term

rubiarbonol k  

Type

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

charge

  • 0

formula

  • C30H50O2

inchi

  • InChI=1S/C30H50O2/c1-18(2)21-17-22(31)25-28(21,6)15-16-29(7)20-9-10-23-26(3,4)24(32)12-13-27(23,5)19(20)11-14-30(25,29)8/h11,18,20-25,31-32H,9-10,12-17H2,1-8H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1

inchikey

  • SEUSNJUQUVUXAA-ZRBXTNFGSA-N

mass

  • 442.71680

monoisotopicmass

  • 442.38108

smiles

  • CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C

subset

  • 3_STAR

synonym EXACT

  • (1R,3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-1,9-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69516

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