17-acetoxy-6-chloro-1 Alpha-chloromethyl-4,6-pregnadiene-3,20-dione

(1a)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)-pregna-4,6-diene-3,20-dione
(1α)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione
17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1α)-
Pregna-4,6-diene-3,20-dione, 6-chloro-1α-(chloromethyl)-17-hydroxy-, acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MFEGXCLQSLHLPH-HAJWRMEISA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C
IUPAC name chemrof:IUPAC_name	17-acetoxy-6-chloro-1 Alpha-chloromethyl-4,6-pregnadiene-3,20-dione
Molecular formula chemrof:molecular_formula	C24H30Cl2O4
Molecular mass chemrof:molecular_mass	453.406
Monoisotopic mass chemrof:monoisotopic_mass	452.152115
SMILES string chemrof:smiles_string	CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC(CCl)C4(C)C3CCC21C

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=17183-98-1	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40723761	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AWV9NYF5CR	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/57357615	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72435551	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0b267bbd-27fc-4595-b6ca-07fe1822f16b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9760c6ae-73db-4a96-871d-ea1cecbe1254	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ca0c0f85-9de9-45b4-83d0-346f027bc7e8	Environmental → Air → Indoor	EF 3.1	kg	2
43d7f7ef-659a-4c19-9bde-acc5e19095f0	Environmental → Air → Long-term	EF 3.1	kg	0
811147c3-51c5-4d7d-b2e7-1e5253336030	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d3829bd5-4e68-4103-b0a7-6e44484a8d7d	Environmental → Air → Unknown	EF 3.1	kg	2
886d12ef-88f9-4cf1-96ba-f97f99048c59	Environmental → Ground → Agricultural	EF 3.1	kg	2
94b73aa5-483a-4fa6-889f-581fec8aaf95	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
39efa0aa-1dff-4b5e-9d84-c6bd0a3e1d64	Environmental → Ground → Unknown	EF 3.1	kg	2
8932ce9b-f8e5-4ea1-80aa-dccea2056fb3	Environmental → Water → Long-term	EF 3.1	kg	0
85c3eb6e-2c99-47ff-8873-a36d2614b67e	Environmental → Water → Ocean	EF 3.1	kg	2
06ceb98e-5755-4412-a0a5-8b9308c7d2d5	Environmental → Water → Surface water	EF 3.1	kg	2
b7a89e15-e45b-4309-88e2-62a65169c6c6	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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17-acetoxy-6-chloro-1 Alpha-chloromethyl-4,6-pregnadiene-3,20-dione

Identity

Structure

Alternative labels

Properties

Known URLs

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