Chemical identity
CAS not listed · C30H50O5
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-41041 |
|---|---|
| PubChem CID | 45378770 |
| Name | (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol |
| CAS RN | Not listed |
| Molecular formula | C30H50O5 |
| Molecular weight | 490.7 g/mol |
| IUPAC name | (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol |
| InChIKey | FZEXGDDBXLBRTD-HODDSLPVSA-N |
![2D structure: (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol](/structures/pubchem/45378770/no-cas-1r-2r-3r-5z-5-2e-2-1r-3as-7ar-1-2s-6-hydroxy-6-methylheptan-2-yl-7a-methyl-2-3-3a-5-6-7-he-2d-structure-900.png)
Structure facts for this exact identity.
| Molecular formula | C30H50O5 |
|---|---|
| InChIKey | FZEXGDDBXLBRTD-HODDSLPVSA-N |
| Ring count | 3 |
| Defined stereocentres | 7 |
| Unassigned stereocentres | 0 |
| SMILES | C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24+,25-,26+,27+,28+,30+/m0/s1 |
The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
![2D structure: (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol](/structures/pubchem/45378770/no-cas-1r-2r-3r-5z-5-2e-2-1r-3as-7ar-1-2s-6-hydroxy-6-methylheptan-2-yl-7a-methyl-2-3-3a-5-6-7-he-2d-structure-300.png)
CAS Not listed
FZEXGDDBXLBRTD-HODDSLPVSA-N
Current configuration
CAS Not listed
FZEXGDDBXLBRTD-BVJXYISBSA-N
7 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NOT FOUND IN REVIEWED ENTRIES | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
No parent compound is listed.
No synonyms are listed.
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
Names and machine-readable chemical identity properties.
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.