6 Alpha-fluoro-11 Beta-hydroxy-16 Alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione

6α-Fluoro-11β-hydroxy-21-valeryloxy-16α-methylpregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6α,11β,16α)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ASVQNGFDDHFBPT-VJBCMVKLSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C27H37FO5/c1-5-6-7-23(32)33-14-22(31)24-15(2)10-18-17-12-20(28)19-11-16(29)8-9-26(19,3)25(17)21(30)13-27(18,24)4/h8-9,11,15,17-18,20-21,24-25,30H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,24-,25-,26+,27+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
IUPAC name chemrof:IUPAC_name	6 Alpha-fluoro-11 Beta-hydroxy-16 Alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione
Molecular formula chemrof:molecular_formula	C27H37FO5
Molecular mass chemrof:molecular_mass	460.586
Monoisotopic mass chemrof:monoisotopic_mass	460.262503
SMILES string chemrof:smiles_string	CCCCC(=O)OCC(=O)C1C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC21C

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=36130-02-6	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID401036250	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/92030071	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
2a364698-18d8-4de7-a6f8-8b0db62af8c3	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6b9e8a91-49fe-4d55-b220-7eb9e03a3d9f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a5926b73-f21f-4cb1-b5b5-79f793f39496	Environmental → Air → Indoor	EF 3.1	kg	2
a97266d4-7db0-45cd-89de-5878a0e35653	Environmental → Air → Long-term	EF 3.1	kg	0
5e9f869b-2297-4ed4-b797-395117fcee31	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b71fbcd6-61b3-4f7d-94a0-15dc4fb11565	Environmental → Air → Unknown	EF 3.1	kg	2
6903320b-5618-4d1b-8fd1-5f670e194c11	Environmental → Ground → Agricultural	EF 3.1	kg	2
a90eeb94-7e54-47f6-8795-e190297d211d	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
0a109af9-f5be-4ae3-98ee-152d0eaeb7f9	Environmental → Ground → Unknown	EF 3.1	kg	2
c7b1d321-e64a-41c3-8c71-88b26f3dfa5d	Environmental → Water → Long-term	EF 3.1	kg	0
a975bd23-4388-41b2-bb1a-8182e7b61b24	Environmental → Water → Ocean	EF 3.1	kg	2
945bbfd2-1371-4f56-a37a-c036ed6fd3c4	Environmental → Water → Surface water	EF 3.1	kg	2
07c23329-f9db-4ed7-b06e-877b574c070b	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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6 Alpha-fluoro-11 Beta-hydroxy-16 Alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione

Identity

Structure

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