VITAMIN D1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C28H44O
Molecular Weight	793.2967
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	4
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.[H][C@@]4(CC[C@@]5([H])C6=CC=C7C[C@@H](O)CC[C@@]7(C)[C@]6([H])CC[C@]45C)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=UOELMDIOCSFSEN-KQJGLNNASA-N

InChI=1S/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12+,24-13-/t19-,20+,22-,24+,25-,26+,27+,28+;20-,22+,25-,26+,27-,28+/m00/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O
Molecular Weight	396.6484
Charge	0
Count

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

Molecular Formula	C28H44O
Molecular Weight	396.6484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:39 UTC 2023` Edited by `admin` on `Sat Dec 16 14:04:39 UTC 2023`
Record UNII	40F8SW6OW5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VITAMIN D1

Common Name

English

ERGOSTA-5,7,22-TRIEN-3-OL, (3.BETA.,9.BETA.,10.ALPHA.,22E)-, COMPD. WITH (3.BETA.,5Z,7E,22E)-9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3-OL (1:1)

Systematic Name

English

ERGOSTA-5,7,22-TRIEN-3-OL, (3.BETA.,9.BETA.,10.ALPHA.,22E)-, COMPD. WITH (1S,3Z)-4-METHYLENE-3-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)CYCLOHEXANOL (1:1)

Systematic Name

English

Vitamin D1 [WHO-DD]

Common Name

English

Code System Code Type Description

FDA UNII

40F8SW6OW5