| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 03:11:02 UTC |
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| Updated at | 2022-09-06 03:11:02 UTC |
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| NP-MRD ID | NP0224692 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 6,9a,11a-trimethyl-1-(4,5,6-trimethylhept-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol |
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| Description | 2,6,15-Trimethyl-14-(4,5,6-trimethylhept-3-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-ol belongs to the class of organic compounds known as gorgostanes and derivatives. These are steroids containing a gorgostane moiety, which a skeleton characterized by the presence. 6,9a,11a-trimethyl-1-(4,5,6-trimethylhept-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol is found in Phallusia nigra and Scrippsiella trochoidea. 2,6,15-Trimethyl-14-(4,5,6-trimethylhept-3-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | CC(C)C(C)C(C)=CC(C)C1CCC2C3CC=C4C(C)C(O)CCC4(C)C3CCC12C InChI=1S/C30H50O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h10,17-18,20-24,26-28,31H,9,11-16H2,1-8H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H50O |
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| Average Mass | 426.7290 Da |
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| Monoisotopic Mass | 426.38617 Da |
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| IUPAC Name | 2,6,15-trimethyl-14-(4,5,6-trimethylhept-3-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol |
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| Traditional Name | 2,6,15-trimethyl-14-(4,5,6-trimethylhept-3-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)C(C)C(C)=CC(C)C1CCC2C3CC=C4C(C)C(O)CCC4(C)C3CCC12C |
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| InChI Identifier | InChI=1S/C30H50O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h10,17-18,20-24,26-28,31H,9,11-16H2,1-8H3 |
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| InChI Key | KKKWOWHWDRBHST-UHFFFAOYSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as gorgostanes and derivatives. These are steroids containing a gorgostane moiety, which a skeleton characterized by the presence. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Gorgostanes and derivatives |
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| Direct Parent | Gorgostanes and derivatives |
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| Alternative Parents | |
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| Substituents | - Gorgostane-skeleton
- Hydroxysteroid
- 3-hydroxysteroid
- 3-hydroxy-delta-5-steroid
- Delta-5-steroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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