25-HYDROXYERGOCALCIFEROL-

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H44O2
Molecular Weight	412.6478
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)\C=C\[C@H](C)C(C)(C)O

InChI

InChIKey=KJKIIUAXZGLUND-ICCVIKJNSA-N

InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O2
Molecular Weight	412.6478
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:08:12 GMT 2023` Edited by `admin` on `Fri Dec 15 18:08:12 GMT 2023`
Record UNII	A288AR3C9H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25-HYDROXYERGOCALCIFEROL-

Common Name

English

25-HYDROXYCALCIFEROL

Common Name

English

9,10-SECOERGOSTA-5,7,10(19),22-TETRAENE-3,25-DIOL, (3.BETA.,5Z,7E,22E)-

Systematic Name

English

25-HYDROXYVITAMIN D 2

Common Name

English

25-HYDROXYVITAMIN D

Common Name

English

25-HYDROXYVITAMIN D2

Common Name

English

25-HYDROXY ERGOCALCIFEROL

Common Name

English

CYCLOHEXANOL, 4-METHYLENE-3-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R,2E,4S)-5-HYDROXY-1,4,5-TRIMETHYL-2-HEXENYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1S,3Z)-

Systematic Name

English

ERCALCIDIOL

Common Name

English

Classification Tree Code System Code

LOINC

86918-0