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Chemistry, part 2

Content language

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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 > lipid > steroid > steroid saponin > bbgl-i
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > bbgl-i
... > 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 > steroid saponin > bbgl-i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > bbgl-i
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > bbgl-i
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > bbgl-i

Preferred term

bbgl-i  

Type

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

Broader concept

charge

  • 0

formula

  • C49H86O7

inchi

  • InChI=1S/C49H86O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43(50)54-33-42-44(51)45(52)46(53)47(56-42)55-37-28-30-48(5)36(32-37)24-25-38-40-27-26-39(35(4)22-20-21-34(2)3)49(40,6)31-29-41(38)48/h24,34-35,37-42,44-47,51-53H,7-23,25-33H2,1-6H3/t35-,37?,38+,39-,40+,41+,42-,44+,45+,46-,47-,48+,49-/m1/s1

inchikey

  • YPMUZVRAVKLKGC-IDLZYDTFSA-N

mass

  • 787.220

monoisotopicmass

  • 786.63736

smiles

  • O=C(OC[C@H]1O[C@@H](OC2CC3=CC[C@H]4[C@H]5[C@]([C@@H]([C@@H](CCCC(C)C)C)CC5)(C)CC[C@@H]4[C@@]3(C)CC2)[C@H](O)[C@H]([C@H]1O)O)CCCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5R,6R)-6-[[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200413

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