(3aS,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate
AlkaPlorer ID: AK455664
Synonym: None
IUPAC Name: [(3aS,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Structure
SMILES: CC1(C)O[C@@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@@H](OC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OCC3=CC=CC=C3)[C@H]2O1
InChI: InChI=1S/C29H35NO9/c1-28(2)34-17-21(37-28)22-23(24-26(36-22)39-29(3,4)38-24)35-25(31)20(15-18-11-7-5-8-12-18)30-27(32)33-16-19-13-9-6-10-14-19/h5-14,20-24,26H,15-17H2,1-4H3,(H,30,32)/t20-,21+,22-,23-,24-,26+/m1/s1
InChIKey: MIJMDMUBCDQQSU-NSJFTEMYSA-N
Reference
A hydroxy-β-caryophyllene from Pterocaulon serrulatum
PubChem CID: 95369603
SuperNatural Ⅲ: SN0226499-05
Source
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Properties Information
Molecule Weight: 541.5970000000003
TPSA？: 110.78
MolLogP？: 3.4638000000000018
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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