CAS
57097-81-1 Purity
98%
57097-81-1 Purity
98%
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Alpha-2,7,11-Cembratriene-4,6-Diol
CAS
57605-80-8
Catalog Number
ACM57605808
Category
Main Products
Molecular Weight
306.50
Molecular Formula
C20H34O2
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Specification
Synonyms
(1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Appearance
Off-White to Pale Yellow Solid
What is the molecular formula of alpha-2,7,11-Cembratriene-4,6-Diol?
The molecular formula is C20H34O2.
What is the molecular weight of alpha-2,7,11-Cembratriene-4,6-Diol?
The molecular weight is 306.5 g/mol.
What is the IUPAC name of alpha-2,7,11-Cembratriene-4,6-Diol?
The IUPAC name is (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol.
What is the InChI of alpha-2,7,11-Cembratriene-4,6-Diol?
The InChI is InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11-,16-7-,17-13-/t18-,19+,20-/m1/s1.
What is the InChIKey of alpha-2,7,11-Cembratriene-4,6-Diol?
The InChIKey is RIVKDDXPCFBMOV-KPKOZXNESA-N.
What is the Canonical SMILES of alpha-2,7,11-Cembratriene-4,6-Diol?
The Canonical SMILES is CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C.
How many hydrogen bond donor counts are there in alpha-2,7,11-Cembratriene-4,6-Diol?
There are 2 hydrogen bond donor counts.
How many rotatable bond counts are there in alpha-2,7,11-Cembratriene-4,6-Diol?
There is 1 rotatable bond count.
What is the topological polar surface area of alpha-2,7,11-Cembratriene-4,6-Diol?
The topological polar surface area is 40.5Ų.
Is alpha-2,7,11-Cembratriene-4,6-Diol canonicalized?
Yes, alpha-2,7,11-Cembratriene-4,6-Diol is canonicalized.
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