Enovid
fo-000f68026488c9ed
Identity
- Type
- Molecular complex
- CAS
- 8015-30-3
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
9- 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17α)-, mixt. with (17α)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
- 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17α)-, mixt. contg.
- Conovid
- Enovid E
- Infecundin
- Mestranol-norethynodrel mixt.
- Mestranol-norethynodrel mixture
- Norethynodrel-mestranol mixt.
- Sequelan
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YEXIOUZEXADMJW-HHWOBMLOSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H26O2.C20H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3;1,16-18,22H,4-12H2,2H3, InChI=1S/C21H26O2.C20H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3;1,16-18,22H,4-12H2,2H3/t17-,18-,19+,20+,21+;16-,17-,18+,19+,20+/m11/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC |
| IUPAC name chemrof:IUPAC_name | (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol, (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| Molecular formula chemrof:molecular_formula | C41H52O4 |
| Molecular mass chemrof:molecular_mass | 608.863 |
| Monoisotopic mass chemrof:monoisotopic_mass | 608.38656 |
| SMILES string chemrof:smiles_string | C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C.C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C |
Known URLs
3Where 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=8015-30-3 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/66444 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q6822155 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 29061463-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8f99-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d412001c-a936-44c9-8c44-d9e92d858d07 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-93b4-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8f9a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-93b3-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-93b1-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8f9e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-93b2-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8f9c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8f9f-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8f9b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8f9d-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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