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Chemistry, part 2

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Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > ergostanoid > campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol

Preferred term

campest-22e-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25r,26-nonol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H48O9

inchi

  • InChI=1S/C28H48O9/c1-15(6-7-16(2)25(5,34)14-29)17-12-20(31)28(37)23(17,3)11-9-19-24(4)10-8-18(30)22(33)27(24,36)21(32)13-26(19,28)35/h6-7,15-22,29-37H,8-14H2,1-5H3/b7-6+/t15-,16-,17-,18+,19-,20+,21+,22+,23-,24-,25+,26+,27-,28+/m1/s1

inchikey

  • YBHRKPRZIIWOHY-LNCPMJPISA-N

mass

  • 528.683

monoisotopicmass

  • 528.32983

smiles

  • O[C@]12[C@@]3(O)[C@@]([C@@]4([C@@](O)([C@@H](O)C3)[C@@H](O)[C@@H](O)CC4)C)(CC[C@@]1([C@](C[C@@H]2O)([C@H](C)/C=C/[C@H]([C@@](O)(CO)C)C)[H])C)[H]

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,5R,6S,8S,9R,10R,13R,14R,15S,17R)-17-[(E,2R,5R,6R)-6,7-dihydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4,5,6,8,14,15-heptol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187595

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