Идентичност

MicrandilactoneC

Не е посочено · C29H42O9

01Идентичност

Lazychem ID	LC-36452
CAS RN	Не е посочено
PubChem CID	101550167
Molecular formula	C29H42O9
Molecular weight	534.6 g/mol
IUPAC name	(1S,3R,7R,10S,13R,14S,15S,17R,18R)-1,14,15-trihydroxy-17-[(1S,2S)-1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one
InChIKey	LGYLRQGGJPTPQG-JZOIQUGKSA-N

02Структура и стереохимия

Two-dimensional chemical structure of MicrandilactoneC — 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 stereocentres	12
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C[C@H](OC1=O)[C@H]([C@@H](C)[C@H]2C[C@@H]([C@]3([C@@]2(CC[C@]4([C@H]3CC[C@@H]5[C@]6(C4)[C@@H](CC(=O)O6)OC5(C)C)O)C)O)O)O
InChI	Не е посочено

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

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.