Basic information
- CAS
37720-86-8- Standard SMILES
CC(=O)OC1C2CCC3C(C)(O)C4C5OC5C(C)(C)C4(O)C(O)CC13CC2(C)O- InChIKey
OHDPFRGZBUACTR-UHFFFAOYSA-N- Molecular formula
- C22H34O7
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.23045343
Overview
5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate has been reported in Rhododendron japonicum with data available.
Names & identifiers
- Preferred name
- 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
- IUPAC
- (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate
- English name
- (2β,3β,14R)-2,3-Epoxygrayanotoxane-5,6β,10,14,16-pentol 14-acetate
- Molecular formula
- C22H34O7
- Molecular weight
- 410.5
Names & synonyms
(3,4,10,15-Tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetateRhodojaponin-V5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetateRhodojaponin V [M+H]+orb1222309orb1302358DTXSID90958763HY-N2154EBC-616407T4S0528AC-34547DA-57431
Show more names
Rhodojaponin V(14R)-14-Acetoxy-2β,3β-epoxygrayanotoxane-5,6β,10,16-tetrol(2β,3β,14R)-2,3-Epoxygrayanotoxane-5,6β,10,14,16-pentol 14-acetate(2β,3β,14R)-2,3-Epoxygrayanotoxane-5,6β,10,14,16-pentol 14-acetate(2beta,3beta,6beta,14R)-2,3-Epoxy-grayanotoxane-5,6,10,14,16-pentol 14-acetateGrayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-acetate, (2β,3β,6β,14R)- (9CI)
MS-27084CS-0019454(2|?,3|?,14R)-2,3-Epoxygrayanotoxane-5,6|?,10,14,16-pentol 14-acetate3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecan-17-yl acetate
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 13.5 · 13.50±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 8008 WY0Z · WT8008WY0Z
Chemistry & industry
Applications
UsesRhodojaponin V is a diterpenoid from the leaves of Rhododendron molle with anti-inflammatory activity[1].
Suppliers82 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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