(Q105183374)

English

(1R,3S,6R,8S,9R,15R,16R,18R,23S)-6-hydroxy-18-[(E,3R,6S)-6-hydroxy-3,5-dimethylhept-4-enyl]-8,15,23-trimethyl-3-[(E)-2-oxopent-3-enyl]-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosane-14,25-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-Hydroxy-18-(6-hydroxy-3,5-dimethylhept-4-enyl)-8,15,23-trimethyl-3-(2-oxopent-3-enyl)-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosane-14,25-dione

1 reference

based on heuristic

inferred from SMILES

mass

704.497567136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₈N₂O₈

0 references

canonical SMILES

CC=CC(=O)CC1CCC2(O)CC(C)C(CCCNC(=O)C(C)C3CNC(=O)CC(O1)C(C)CCCCC(CCC(C)C=C(C)C(C)O)O3)O2

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isomeric SMILES

C/C=C/C(=O)C[C@@H]1CC[C@]2(O)C[C@H](C)[C@@H](CCCNC(=O)[C@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@H](CC[C@@H](C)/C=C(\C)[C@H](C)O)O3)O2

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found in taxon

Lissoclinum bistratum

1 reference

stated in

Novel cytotoxic compounds from the ascidian Lissoclinum bistratum

Identifiers

InChI

InChI=1S/C40H68N2O8/c1-8-12-32(44)22-34-18-19-40(47)24-29(5)35(50-40)15-11-20-41-39(46)30(6)37-25-42-38(45)23-36(49-34)27(3)13-9-10-14-33(48-37)17-16-26(2)21-28(4)31(7)43/h8,12,21,26-27,29-31,33-37,43,47H,9-11,13-20,22-25H2,1-7H3,(H,41,46)(H,42,45)/b12-8+,28-21+/t26-,27+,29+,30-,31+,33-,34+,35-,36-,37+,40-/m1/s1

0 references

InChIKey

NPSOIFAWYAHWOH-WQYORBLOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105183374)

(1R,3S,6R,8S,9R,15R,16R,18R,23S)-6-hydroxy-18-[(E,3R,6S)-6-hydroxy-3,5-dimethylhept-4-enyl]-8,15,23-trimethyl-3-[(E)-2-oxopent-3-enyl]-2,17,28-trioxa-13,26-diazatricyclo[14.7.4.16,9]octacosane-14,25-dione

Statements

Identifiers

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