2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.0¹,?.0?,¹³.0¹?,¹?]pentadecan-12-yl 1H-pyrrole-2-carboxylate

AlkaPlorer ID: AK269962

Synonym: None

IUPAC Name: [2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

Structure

SMILES: C=C1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)C(OC(=O)C2=CC=CN2)C(O)(C(C)CO)C41C

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InChI: InChI=1S/C25H33NO10/c1-12-7-8-20(30)18(3)11-21(31)19(4)22(32,13(2)10-27)17(35-16(29)14-6-5-9-26-14)23(18,33)25(19,34)24(20,36-21)15(12)28/h5-6,9,13,15,17,26-28,30-34H,1,7-8,10-11H2,2-4H3

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InChIKey: SVUNMRMTAXARBS-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ryania speciosa Ryania Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 507.5360000000002

TPSA: 192.93

MolLogP: -1.2950999999999993

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information