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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 > (2r,3r,5r,10s,12s,13r,14r,17r)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (2r,3r,5r,10s,12s,13r,14r,17r)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Preferred term

(2r,3r,5r,10s,12s,13r,14r,17r)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O7

inchi

  • InChI=1S/C30H50O7/c1-26(2)21-13-19(32)24-18(28(21,5)14-20(33)25(26)36)12-23(35)30(7)17(10-11-29(24,30)6)16(15-31)8-9-22(34)27(3,4)37/h16-17,20-23,25,31,33-37H,8-15H2,1-7H3/t16-,17+,20+,21-,22+,23-,25-,28+,29-,30-/m0/s1

inchikey

  • FVNOMENBXLRMPE-YZPVWUHISA-N

mass

  • 522.723

monoisotopicmass

  • 522.35565

smiles

  • O=C1C2=C([C@]3(C[C@@H](O)[C@@H](C([C@@H]3C1)(C)C)O)C)C[C@H](O)[C@]4([C@]2(CC[C@@H]4[C@H](CO)CC[C@@H](O)C(O)(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205108

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