| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 16:00:51 UTC |
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| Updated at | 2022-09-12 16:00:51 UTC |
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| NP-MRD ID | NP0330554 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,6,7,9-tetrol |
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| Description | 4-(Hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,6,7,9-tetrol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,6,7,9-tetrol is found in Neopestalotiopsis clavispora. Based on a literature review very few articles have been published on 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,6,7,9-tetrol. |
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| Structure | CC1(C)CC(O)C2(C)CC(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CC(O)C34C)C2C1 InChI=1S/C30H50O5/c1-25(2)13-18-17-8-9-19-26(3)11-10-21(32)28(5,16-31)20(26)12-22(33)30(19,7)29(17,6)24(35)15-27(18,4)23(34)14-25/h8,18-24,31-35H,9-16H2,1-7H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H50O5 |
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| Average Mass | 490.7250 Da |
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| Monoisotopic Mass | 490.36582 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | CC1(C)CC(O)C2(C)CC(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CC(O)C34C)C2C1 |
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| InChI Identifier | InChI=1S/C30H50O5/c1-25(2)13-18-17-8-9-19-26(3)11-10-21(32)28(5,16-31)20(26)12-22(33)30(19,7)29(17,6)24(35)15-27(18,4)23(34)14-25/h8,18-24,31-35H,9-16H2,1-7H3 |
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| InChI Key | JGMQCDPAOXLHEF-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 triterpenoids. These are terpene molecules containing six isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- Hydroxysteroid
- 6-hydroxysteroid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- 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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