(Q104939411)

English

21-Hydroxypregna-4,6-diene-3,12,20-trione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pregnane steroid

0 references

mass

342.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₄

0 references

canonical SMILES

O=C1C=C2C=CC3C(CC(=O)C4(C)C(C(=O)CO)CCC34)C2(C)CC1

0 references

isomeric SMILES

C[C@]12C(=O)C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

0 references

found in taxon

Nerium indicum

2 references

stated in

Bioactive pregnanes from Nerium oleander.

stated in

Bioactive cardenolides from the stems and twigs of Nerium oleander.

Nerium oleander

2 references

stated in

Bioactive pregnanes from Nerium oleander.

stated in

Bioactive cardenolides from the stems and twigs of Nerium oleander.

Identifiers

InChI

InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h3-4,9,14-17,22H,5-8,10-11H2,1-2H3/t14-,15-,16+,17-,20-,21-/m0/s1

0 references

InChIKey

BORCINXYCLOGNE-QPQISGKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BORCINXYCLOGNE-QPQISGKWSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

31 December 2022

InChIKey

BORCINXYCLOGNE-QPQISGKWSA-N

based on heuristic

InChIKey match

(Q104939411)

21-Hydroxypregna-4,6-diene-3,12,20-trione

Statements

Identifiers

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