[(1S,3R,13S,14S,17R,18S,19R,20S,21S,23R,24R,25R)-18,19,21,24-tetrakis(acetyloxy)-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-20-yl]methyl acetate

AlkaPlorer ID: AK399566

Synonym: None

IUPAC Name: [(1S,3S,13S,14S,17R,18R,19S,20R,21S,24R,25R)-18,19,21,24-tetraacetyloxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@@]12[C@H](OC(C)=O)C(=O)C3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)C1=CC=CN=C1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]4C

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InChI: InChI=1S/C36H43NO16/c1-15-16(2)32(44)52-27-17(3)36-29(49-20(6)40)24(34(9,53-36)13-47-33(45)23-11-10-12-37-25(15)23)26(43)30(50-21(7)41)35(36,14-46-18(4)38)31(51-22(8)42)28(27)48-19(5)39/h10-12,15-17,24,27-31H,13-14H2,1-9H3/t15-,16-,17+,24?,27+,28+,29+,30+,31+,34+,35-,36+/m0/s1

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InChIKey: HIZXOIDYACHULC-MOTSPOBHSA-N

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Source

Properties Information

Molecule Weight: 745.7310000000002

TPSA: 223.29

MolLogP: 1.5560000000000025

Number of H-Donors: 0

Number of H-Acceptors: 17

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information