5186-13-0
3BETA-HYDROXY-PREGNA-5,14,16-TRIEN-20-ONE
Name
3BETA-HYDROXY-PREGNA-5,14,16-TRIEN-20-ONE
Formula
C21 H28 O2
MolWeight
312.45
1Identification
【Name】
3BETA-HYDROXY-PREGNA-5,14,16-TRIEN-20-ONE
【CAS】
【MDL】
MFCD22683746
【English Synonyms】
【Formula】
C21 H28 O2
【MolWeight】
312.45
【Inchi】
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6-7,15-16,19,23H,5,8-12H2,1-3H3/t15-,16-,19-,20-,21+/m0/s1
【InChIKey】
InChIKey=IVIIXTOYHSXNOC-JPKZGUTDSA-N
【SMILES】
CC(=O)C1=CC=C2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3BETA-HYDROXY-PREGNA-5,14,16-TRIEN-20-ONE.cml
Quick Release
2-(2-HYDROXYCYCLOPENTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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2-(5-HYDROXYPENTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
2-(OXOLAN-3-YLMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
2-(4-HYDROXYBUTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
SELENA SEL10739963
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