22-Dihydroergocalciferol

22-Dihydroergocalciferol
Names
	IUPAC name (3S,5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3-ol
	Systematic IUPAC name (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,5S)-5,6-Dimethylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexan-1-ol
	Other names (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol; (24S)-Methylcalciol; 22,23-Dihydroercalciol; Vitamin D4
Identifiers
CAS Number	511-28-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:33237 ;
ChemSpider	4574179 ;
ECHA InfoCard	100.007.389
PubChem CID	5460703;
UNII	KN41X73N6C ;
	InChI InChI=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 Key: DIPPFEXMRDPFBK-JPWDPSJFSA-N ; InChI=1/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 Key: DIPPFEXMRDPFBK-JPWDPSJFBS;
	SMILES O[C@@H]1CC(\C(=C)CC1)=C\C=C2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CC[C@H](C)C(C)C)C;
Properties
Chemical formula	C28H46O
Molar mass	398.675 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

It has the systematic name (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol.

Vitamin D₄ is found in certain mushrooms, being produced from ergosta-5,7-dienol (22,23-dihydroergosterol) instead of ergosterol.

References

External links

Dihydroergocalciferols at lipidmaps.org

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22-Dihydroergocalciferol

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Names

IUPAC name (3S,5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3-ol
Systematic IUPAC name (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,5S)-5,6-Dimethylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexan-1-ol
Other names (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol (24S)-Methylcalciol 22,23-Dihydroercalciol Vitamin D₄
Identifiers
CAS Number	511-28-4^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:33237^Y
ChemSpider	4574179^Y
ECHA InfoCard	100.007.389
PubChem CID	5460703
UNII	KN41X73N6C^Y
InChI InChI=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^Y Key: DIPPFEXMRDPFBK-JPWDPSJFSA-N^Y InChI=1/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 Key: DIPPFEXMRDPFBK-JPWDPSJFBS
SMILES O[C@@H]1CC(\C(=C)CC1)=C\C=C2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CC[C@H](C)C(C)C)C
Properties
Chemical formula	C₂₈H₄₆O
Molar mass	398.675 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references