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name Structure Reference Source Properties Activities Metabolism

4-[(1R,3S,5R,7S,8S,9S,10R,12R,14S,15R,18R,19S,22S,23R)-8,10,22-trihydroxy-7,14,18-trimethyl-5'H-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-19-yl]-5H-furan-2-one

AlkaPlorer ID: AK066395

Synonym: None

IUPAC Name: 3-[(1R,3S,5R,7S,8S,9S,10R,12R,14S,15R,18R,19S,22S,23R)-8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl]-2H-furan-5-one

Structure

SMILES: C[C@@H]1O[C@@H]2O[C@H]3C[C@H]4CC[C@@H]5[C@@H](CC[C@]6(C)[C@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)C[C@H]3O[C@@]2(O)[C@]2(N=CCS2)[C@H]1O

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InChI: InChI=1S/C31H43NO8S/c1-16-25(34)30(32-10-11-41-30)31(36)26(38-16)39-22-13-18-4-5-21-20(27(18,2)14-23(22)40-31)6-8-28(3)19(7-9-29(21,28)35)17-12-24(33)37-15-17/h10,12,16,18-23,25-26,34-36H,4-9,11,13-15H2,1-3H3/t16-,18+,19-,20+,21+,22-,23+,25-,26+,27-,28+,29-,30-,31+/m0/s1

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InChIKey: OJDKVUZIXKHTDF-WKEJHAPVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Asclepias eriocarpa Asclepias Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 589.7510000000004

TPSA？: 127.04000000000002

MolLogP？: 2.9455000000000022

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information