Identitet

Tigogenin

Nije navedeno · C27H44O3

01Identitet

Lazychem IDLC-116980
CAS RNNije navedeno
PubChem CID99516
Molecular formulaC27H44O3
Molecular weight416.6 g/mol
IUPAC name(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
InChIKeyGMBQZIIUCVWOCD-MFRNJXNGSA-N

02Struktura i stereokemija

2D structurePubChem CID 99516
Two-dimensional chemical structure of Tigogenin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aliphatic carbon, has 12 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres12
Ring count6
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChINije navedeno

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4,096Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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.

04Status u Indiji

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

05Nazivi i povezanosti

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