Azonosítás

Digimed

Nincs megadva · C41H64O13

01Azonosítás

Lazychem IDLC-54620
CAS RNNincs megadva
PubChem CID3061
Molecular formulaC41H64O13
Molecular weight764.9 g/mol
IUPAC name3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyWDJUZGPOPHTGOT-UHFFFAOYSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 3061
Two-dimensional chemical structure of Digimed
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count8
Secondary amines0
Tertiary amines0
SMILESCC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
InChINincs megadva

03Stereochemistry

The published structure contains 0 defined and 20 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres20Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 1,048,576Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

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      06Források