Identitāte

Agarospirol

Nav norādīts · C15H26O

01Identitāte

Lazychem IDLC-42562
CAS RNNav norādīts
PubChem CID21675005
Molecular formulaC15H26O
Molecular weight222.37 g/mol
IUPAC name2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
InChIKeyICWHTQRTTHCUHW-NFAWXSAZSA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 21675005
Two-dimensional chemical structure of Agarospirol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1CCC=C([C@@]12CC[C@H](C2)C(C)(C)O)C
InChINav norādīts

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

04Statuss Indijā

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

05Nosaukumi un saistības

API un pamatviela

Nav norādīts

Nosaukumi un saistības

    Piemaisījumi un saistītie savienojumi

      06Avoti