(Q104920580)

English

(1S,3aS,3bR,9aR,9bS,11aS)-1-[(1R)-1-hydroxyethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,8H,9H,9bH,10H-cyclopenta[a]phenanthrene-7,11-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pregnane steroid

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mass

328.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₃

0 references

canonical SMILES

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

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isomeric SMILES

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

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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/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-5,10,12,15-18,22H,6-9,11H2,1-3H3/t12-,15+,16-,17+,18+,20+,21-/m1/s1

0 references

InChIKey

AXIMAQIOARWDAI-LYJJHTRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXIMAQIOARWDAI-LYJJHTRHSA-N

SureChEMBL ID

SCHEMBL22273464

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AXIMAQIOARWDAI-LYJJHTRHSA-N

1 reference

(Q104920580)

(1S,3aS,3bR,9aR,9bS,11aS)-1-[(1R)-1-hydroxyethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,8H,9H,9bH,10H-cyclopenta[a]phenanthrene-7,11-dione

Statements

Identifiers

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