CAS
90530-04-4 Purity
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90530-04-4 Purity
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3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one
CAS
905-30-6
Catalog Number
ACM905306
Category
Other Products
Molecular Weight
339.514220 [g/mol]
Molecular Formula
C23H33NO
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Specification
Synonyms
Androstenedione enamine, EINECS 212-994-5, CID101900, 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one, LS-19346, 3-(1-Pyrrolidinyl)androsta-3,5-dien-17-one, Androsta-3,5-dien-17-one, 3-(1-pyrrolidinyl)-, 905-30-6
IUPAC Name
(8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
Canonical SMILES
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=C4)N5CCCC5)C
InChI Key
RYMKCRPGXRRYQV-CWMMHYCISA-N
EC Number
212-994-5
Exact Mass
339.25600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one?
The molecular formula is C23H33NO.
When was this compound created according to PubChem?
It was created on 2005-08-08.
What is the molecular weight of 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one?
The molecular weight is 339.5 g/mol.
What is the IUPAC Name of this compound?
The IUPAC Name is (8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one.
What is the Canonical SMILES of 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one?
The Canonical SMILES is CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=C4)N5CCCC5)C.
What is the InChIKey of this compound?
The InChIKey is RYMKCRPGXRRYQV-CWMMHYCISA-N.
How many hydrogen bond donor counts does this compound have?
It has 0 hydrogen bond donor counts.
What is the XLogP3 value of 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one?
The XLogP3 value is 4.6.
What is the exact mass and monoisotopic mass of this compound?
The exact mass and monoisotopic mass are both 339.256214676 g/mol.
How many defined atom stereocenter counts does 3-Pyrrolidin-1-ylandrosta-3,5-dien-17-one have?
It has 5 defined atom stereocenter counts.
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