CAS
918-47-8 Purity
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918-47-8 Purity
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(+/-)-Enterolactone-13c3
CAS
918502-72-4
Catalog Number
ACM918502724
Category
Other Products
Molecular Weight
301.31
Molecular Formula
C1513C3H18O4
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Specification
Synonyms
(3R,4R)-rel-Dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-2(3H)-furanone-13C3; trans-Dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-2(3H)-Furanone-13C3; HPMF-13C3; trans-2,3-Bis(3-hydroxybenzyl)-γ-butyrolactone-13C3
IUPAC Name
(3S)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Canonical SMILES
C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
InChI Key
HVDGDHBAMCBBLR-AQPGKPQVSA-N
Exact Mass
301.13100
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of (+/-)-Enterolactone-13c3?
The molecular formula of (+/-)-Enterolactone-13c3 is C18H18O4.
When was (+/-)-Enterolactone-13c3 created?
(+/-)-Enterolactone-13c3 was created on October 25, 2006.
What is the molecular weight of (+/-)-Enterolactone-13c3?
The molecular weight of (+/-)-Enterolactone-13c3 is 298.3 g/mol.
How many hydrogen bond donor counts does (+/-)-Enterolactone-13c3 have?
(+/-)-Enterolactone-13c3 has 2 hydrogen bond donor counts.
What is the XLogP3-AA value for (+/-)-Enterolactone-13c3?
The XLogP3-AA value for (+/-)-Enterolactone-13c3 is 3.3.
What is the InChIKey for (+/-)-Enterolactone-13c3?
The InChIKey for (+/-)-Enterolactone-13c3 is HVDGDHBAMCBBLR-JRZJBTRGSA-N.
How many isotope atom counts are present in (+/-)-Enterolactone-13c3?
There are 0 isotope atom counts in (+/-)-Enterolactone-13c3.
What is the topological polar surface area of (+/-)-Enterolactone-13c3?
The topological polar surface area of (+/-)-Enterolactone-13c3 is 66.8 Ų.
Does (+/-)-Enterolactone-13c3 have any defined bond stereocenter counts?
No, (+/-)-Enterolactone-13c3 does not have any defined bond stereocenter counts.
Is (+/-)-Enterolactone-13c3 a canonicalized compound?
Yes, (+/-)-Enterolactone-13c3 is a canonicalized compound.
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