Account Acanthifolicin
- Catalog No. :
- ACWQYP180
- CAS No. :
- 77739-71-0
- Molecular Formula :
- C44H68O13S
- Molecular Weight :
- 837.08
IUPAC Name:(R)-2-hydroxy-3-((1R,2R,3'R,4S,6R,6'S)-3'-hydroxy-4-((R,E)-4-((2R,4a'R,5R,6'R,8'R,8a'S)-8'-hydroxy-6'-((1R,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-6-methyltetrahydro-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-pyran]-6'-yl)-2-methylpropanoic acid
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Product Information
| Product Name | Acanthifolicin |
|---|---|
| IUPAC Name | (R)-2-hydroxy-3-((1R,2R,3'R,4S,6R,6'S)-3'-hydroxy-4-((R,E)-4-((2R,4a'R,5R,6'R,8'R,8a'S)-8'-hydroxy-6'-((1R,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-6-methyltetrahydro-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-pyran]-6'-yl)-2-methylpropanoic acid |
| Molecular Formula | C44H68O13S |
| Molecular Weight | 837.08 |
| SMILES | C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4C[C@@]5(C)S[C@@H]5[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C |
| InChI Key | PBZVIYIWLYRXNM-GPMIJPABSA-N |
| Synonym | acanthifolicin;Acanthifolic acid;Spiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,2′-[2H]pyran]-6′-propanoic acid, tetrahydro-α,3′-dihydroxy-α,6-dimethyl-4-[(1R,2E)-1-methyl-3-[(2R,4′aR,5R,6′S,8′R,8′aS)-octahydro-8′-hydroxy-6′-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7′-methylenespiro[furan-2(3H),2′(3′H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-, (αR,1S,2S,3′R,4S,6R,6′S)- |
| CAS No. | 77739-71-0 |
Synthetic Route by SureRoute
2. ACWQYP180 Molecular Building Block Synthetic Route
(R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid
Sodium (R)-2-hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoate