Идентичност

Demethylzeylasteral

Не е посочено · C29H36O6

01Идентичност

Lazychem ID	LC-80876
CAS RN	Не е посочено
PubChem CID	10322911
Molecular formula	C29H36O6
Molecular weight	480.6 g/mol
IUPAC name	(2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
InChIKey	ZDZSFWLPCFRASW-CPISFEQASA-N

02Структура и стереохимия

Two-dimensional chemical structure of Demethylzeylasteral — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)O
InChI	Не е посочено

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.