CALCITROIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34O4
Molecular Weight	374.5137
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
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)C[C@H](O)C3=C)[C@H](C)CC(O)=O

InChI

InChIKey=MBLYZRMZFUWLOZ-ZTIKAOTBSA-N

InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H34O4
Molecular Weight	374.5137
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:23 UTC 2023` Edited by `admin` on `Fri Dec 15 18:17:23 UTC 2023`
Record UNII	F7KIE52YT0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCITROIC ACID

Common Name

English

1.ALPHA.-HYDROXY-23-CARBOXY-24,25,26,27-TETRANORVITAMIN D3

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C39713