Chemical identity

Ergocalciferol EP Impurity G

CAS 511-28-4 · C28H46O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14304
PubChem CID5460703
NameErgocalciferol EP Impurity G
CAS RN511-28-4
Molecular formulaC28H46O
Molecular weight398.7 g/mol
IUPAC name(3S,5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3-ol
InChIKeyDIPPFEXMRDPFBK-JPWDPSJFSA-N

02Structure identifiers

2D structurePubChem CID 5460703
2D structure: Ergocalciferol EP Impurity G, CAS 511-28-4
Structure of Ergocalciferol EP Impurity G (CAS 511-28-4). LazyChem record. Source identity: PubChem CID 5460703. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC28H46O
InChIKeyDIPPFEXMRDPFBK-JPWDPSJFSA-N
Ring count3
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChIInChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

03Stereochemistry

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

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 511-28-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 511-28-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ergocalciferol

View API and impurity family

Other names

  • 22, 23-dihydroergocalciferol
  • 22-Dihydroergocalciferol
  • (3S)-9, 10-seco-5Z, 7E, 10(19)-ergostatrien-3-ol
  • 24S-Methylcalciol
  • 22,23-dihydroercalciol
  • UNII-KN41X73N6C
  • EINECS 208-127-5

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources