None

AlkaPlorer ID: AK318725

Synonym: None

IUPAC Name: 3-[(1R,3R,5S,7R,12R,14S,18R,19R,22S)-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]4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)C[C@H]3OC2(O)C2(N=CCS2)C1O

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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?/m1/s1

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InChIKey: OJDKVUZIXKHTDF-RBJXCWCOSA-N

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Reference

PubChem CID: 47925

CAS: 66419-07-6

NPASS: NPC161748

Source

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