(1S,2S,3S,4R,5R,7S,8S,9R,10S,11R,14S)-7,14-bis(acetyloxy)-4-(butanoyloxy)-8,9-dihydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0³,⁷]hexadec-12-en-2-yl pyridine-3-carboxylate
AlkaPlorer ID: AK250909
Synonym: None
IUPAC Name: [(1S,2S,3S,4R,5R,7S,8S,9R,10S,11R,14S)-7,14-diacetyloxy-4-butanoyloxy-8,9-dihydroxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl] pyridine-3-carboxylate
Structure
SMILES: C=C(C)[C@@H]1C=C[C@H](OC(C)=O)[C@]23CO[C@](O)([C@]4(OC(C)=O)C[C@@H](C)[C@@H](OC(=O)CCC)[C@H]4[C@@H]2OC(=O)C2=CC=CN=C2)[C@](C)(O)[C@@H]13
InChI: InChI=1S/C34H43NO11/c1-8-10-25(38)44-27-19(4)15-33(46-21(6)37)26(27)29(45-30(39)22-11-9-14-35-16-22)32-17-42-34(33,41)31(7,40)28(32)23(18(2)3)12-13-24(32)43-20(5)36/h9,11-14,16,19,23-24,26-29,40-41H,2,8,10,15,17H2,1,3-7H3/t19-,23+,24+,26+,27-,28-,29+,31-,32+,33+,34+/m1/s1
InChIKey: MDNIDRBFJYQKDB-IXSQSSAFSA-N
Reference
Eight New Diterpenoids fromEuphorbia decipiens
PubChem CID: 162992838
LOTUS: LTS0032555
SuperNatural Ⅲ: SN0222695-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia decipiens | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 641.7140000000003
TPSA？: 167.78
MolLogP？: 3.0566000000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|