Ipolamiide

HCID 442425

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Basic information

CAS: 27934-98-1
Standard SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(O)CC[C@]12O
InChIKey: RWMXKBUPLSNIJL-BHBNKKJBSA-N
Molecular formula: C17H26O11
Average molar mass: 406.4 g/mol
Monoisotopic mass: 406.14751164

Overview

Ipolamiide is a terpene glycoside.

Names & identifiers

Preferred name: Ipolamiide
IUPAC: methyl (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Names & synonyms

Ipolamiide27934-98-1TarphetalinNSC-729640methyl (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate0L71794JC8methyl (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,5,6,7a-tetrahydrocyclopenta(c)pyran-4-carboxylatemethyl (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-1,5,6,7a-tetrahydrocyclopenta(c)pyran-4-carboxylatemethyl (1S,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylateRefChem:148641C09784AC1L9CSQ

Show more names

CHEBI:5954SCHEMBL20476536DTXSID10950623Q27106941CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-4A,7-DIHYDROXY-7-METHYL-, METHYL ESTER, (1S,4AR,7S,7AR)-Methyl (1S,4aR,7S,7aR)-1-(beta-D-glucopyranosyloxy)-4a,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylateMethyl 1-(hexopyranosyloxy)-4a,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Database identifiers

CAS: 27934-98-1
PubChem CID: 442425
DTXSID: DTXSID10950623
ChEBI: CHEBI:5954
UNII: 0L71794JC8
Nikkaji: J39.991D

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 175 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 639

Related reactions

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Compound notes

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