Basic information
- CAS
102637-01-4- Standard SMILES
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(COC(=O)c1ccccc1)CC2- InChIKey
ZPQZGHAQCJAOQE-YHMSRXDCSA-N- Molecular formula
- C40H56O6
- Average molar mass
- 632.9 g/mol
- Monoisotopic mass
- 632.4076895
Overview
isolated from roots of Helicteres angustifolia L.; structure given in first source
Names & identifiers
- Preferred name
- Methyl helicterilate
- IUPAC
- methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- English name
- methyl helicterilate
- Molecular formula
- C40H56O6
- Molecular weight
- 632.86904
Names & synonyms
Methyl helicterilate102637-01-4RefChem:157887DTXSID40907963Methyl 3-(acetyloxy)-27-(benzoyloxy)olean-12-en-28-oateMethyl 3beta-(acetyloxy)-27-(benzoyloxy)olean-12-en-28-oateOlean-12-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-meyhyl helicterilate
Database identifiers
- CAS
102637-01-4- PubChem CID
- 128136
- DTXSID
DTXSID40907963
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,260
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
湖州展舒生物科技有限公司0572-8889530 18167260939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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