(3Beta,6z)-9,10-secocholesta-5(10),6,8-trien-3-ol

CAS

1173-13-3

Catalog Number

ACM1173133

Category

Other Products

Molecular Weight

384.63766

Molecular Formula

C₂₇H₄₄O

MSDS COA Spec Sheet

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Specification

Synonyms

(3beta,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol ;(1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methyl-cyclohex-3-en-1-ol;Previtamin D3;9,10-Secocholesta-5-(10),6,8-trien-3-ol, -(3,.beta.,6Z) previtamin d(3 9,10-Secocholesta-5-(10),6,8-trien-3-ol,-(3,.beta.,6Z);(6Z)-9,10-Secocholesta-5(10),6,8-trien-3β-ol;Precalciferol3;Einecs 214-634-2;(1S)-3-[(1Z)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-DiMethylhexyl]-2,3,3a,6,7,7a-hexahydro-7a-Methyl-1H-inden-4-yl]ethenyl]-4-Methyl-3-Cyclohexen-1-ol

What is the molecular formula of Previtamin D3?

The molecular formula of Previtamin D3 is C27H44O.

What is the molecular weight of Previtamin D3?

The molecular weight of Previtamin D3 is 384.6 g/mol.

What is the IUPAC name of Previtamin D3?

The IUPAC name of Previtamin D3 is (1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol.

What is the Canonical SMILES of Previtamin D3?

The Canonical SMILES of Previtamin D3 is CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C).

What is the InChIKey of Previtamin D3?

The InChIKey of Previtamin D3 is YUGCAAVRZWBXEQ-WHTXLNIXSA-N.

What is the XLogP3-AA value of Previtamin D3?

The XLogP3-AA value of Previtamin D3 is 7.7.

What is the hydrogen bond donor count of Previtamin D3?

The hydrogen bond donor count of Previtamin D3 is 1.

How many rotatable bond counts does Previtamin D3 have?

Previtamin D3 has 7 rotatable bond counts.

What is the topological polar surface area of Previtamin D3?

The topological polar surface area of Previtamin D3 is 20.2 Å2.