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Structure Database (LMSD)

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Common Name

1alpha,25-dihydroxy-9,11-didehydro-3-deoxyvitamin D3 /

Systematic Name

(5Z,7E)-(1S)-9,10-seco-5,7,10(19),9(11)-cholestatetraene-1,25-diol

Synonyms

1alpha,25-dihydroxy-9,11-didehydro-3-deoxycholecalciferol

LM ID

LMST03020154

Formula

C₂₇H₄₂O₂

Exact Mass

Calculate m/z

398.31848

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthesis and Biological Activity of 9,11-Dehydrovitamin D3 Analogues : Stereoselective Preparation of 6b-Vitamin D Vinylallenes and a Concise Studies of vitamin D (calciferol) and its analogs. 35. Synthesis and biological activity of 9,11-dehydrovitamin D3 analogs: stereoselective preparation of 6.beta.-vitamin D vinylallenes and a concise enynol synthesis for preparing the A-ringSynthesis for Preparing the A-Ring,
J Org Chem, 1989

DOI: 10.1021/jo00278a018

String Representations

InChiKey (Click to copy)

ZECPSDRMBPGOTD-FBXCIANDSA-N

InChi (Click to copy)

InChI=1S/C27H42O2/c1-19(9-7-17-26(3,4)29)23-15-16-24-22(11-8-18-27(23,24)5)14-13-21-10-6-12-25(28)20(21)2/h8,11,13-14,19,23-25,28-29H,2,6-7,9-10,12,15-18H2,1,3-5H3/b21-13-,22-14+/t19-,23-,24+,25+,27-/m1/s1

SMILES (Click to copy)

[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CC=C\2)[C@]([H])(C)CCCC(O)(C)C)/CCC1