Basic information
- CAS
1809980-22-0- Standard SMILES
COc1c(C)c2c(c3c(C)coc13)C[C@@H](C)CC2=O- InChIKey
YRLDTAQTJKXXFC-MRVPVSSYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 9-Methymyrrhone
- IUPAC
- (8R)-4-methoxy-1,5,8-trimethyl-8,9-dihydro-7H-benzo[e][1]benzofuran-6-one
- English name
- 9-Methymyrrhone
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
9-Methymyrrhone1809980-22-09-Methoxymyrrhone(R)-4-Methoxy-1,5,8-trimethyl-8,9-dihydronaphtho[2,1-b]furan-6(7H)-one(8R)-4-methoxy-1,5,8-trimethyl-8,9-dihydro-7H-benzo[e][1]benzofuran-6-oneorb1684793HY-N8130TN1350AKOS040760256FS-7217DA-50045CS-0140177
Show more names
Naphtho[2,1-b]furan-6(7H)-one, 8,9-dihydro-4-methoxy-1,5,8-trimethyl-, (8R)-
E88949
Database identifiers
- CAS
1809980-22-0- PubChem CID
- 134715235
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 412.7 · 412.7±45.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses9-Methoxymyrrhone is a natural sesquiterpene that could be found in Myrrh[1].
Suppliers32 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [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]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…