Basic information
- CAS
1474062-47-9- Standard SMILES
CO[C@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O)C3(C)C- InChIKey
CRZHMFVUXYIFSA-HRNSCMLOSA-N- Molecular formula
- C32H52O4
- Average molar mass
- 500.8 g/mol
- Monoisotopic mass
- 500.38656014
Overview
(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol has been reported in Momordica charantia with data available.
Names & identifiers
- Preferred name
- (1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
- IUPAC
- (1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
- English name
- 19-Norlanosta-6,24-diene-9-carboxaldehyde, 3,5-dihydroxy-23-methoxy-, cyclic 9,5-(methyl acetal), (αS,3β,5β,9β,10α,23R)-
- Molecular formula
- C32H52O4
- Molecular weight
- 500.75
Names & synonyms
1474062-47-9orb1680410CHEMBL3264662TN6332AKOS040763380(19S,23R)-5??,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3??-ol(19S,23R)-5|A,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3|A-ol(19S,23R)-5β,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3β-ol19-Norlanosta-6,24-diene-9-carboxaldehyde, 3,5-dihydroxy-23-methoxy-, cyclic 9,5-(methyl acetal), (αS,3β,5β,9β,10α,23R)-
Database identifiers
- CAS
1474062-47-9- PubChem CID
- 90677198
- ChEMBL
CHEMBL3264662
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 919
Physicochemical properties
- Boiling point
- 569.8 · 569.8±50.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 14.98 · 14.98±0.70(Predicted)
Chemistry & industry
Applications
Uses(19S,23R)-5β,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3β-ol is a natural product[1].
Suppliers5 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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