(Q105000168)

English

(2Z,4E,6R,8S,9Z,12S,20R,21E,23Z,25E,28R)-12,28-bis[(3S,4E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

chemical compound

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instance of

type of chemical entity

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subclass of

(21E)-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from SMILES

12,28-Bis(3-hydroxy-2-methylhex-4-en-2-yl)-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from SMILES

(21E,23E)-12,28-bis(3-hydroxy-2-methylhex-4-en-2-yl)-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from SMILES

mass

758.377845928 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z,4E,6R,8S,9Z,12S,20R,21E,23E,25E,28R)-12,28-bis[(3S,4E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2Z,4E,6S,8S,9Z,12R,20R,21E,23Z,25Z,28S)-12,28-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from InChI

(2Z,4E,6S,8R,9Z,12S,20S,21E,23Z,25Z,28S)-12,28-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from InChI

(2Z,4E,6R,8S,9Z,12S,20R,21E,23E,25Z,28R)-12,28-bis[(3S,4E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from InChI

(2Z,4E,6R,8S,9Z,12S,20R,21E,23Z,25Z,28R)-12,28-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₅₄N₂O₁₀

0 references

canonical SMILES

O=C1OC(CC=CC=CC=CC(OC)CC2=NC(=CO2)C(=O)OC(CC=CC3OC3C=CC=CC4=NC1=CO4)C(C)(C)C(O)C=CC)C(C)(C)C(O)C=CC

0 references

isomeric SMILES

C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/C=C\C=C\[C@H](OC)Cc2nc(co2)C(=O)O1

0 references

found in taxon

Sorangium cellulosum

1 reference

stated in

Antibiotics from Gliding Bacteria, LIX. Disorazoles, Highly Cytotoxic Metabolites from the Sorangicin-Producing BacteriumSorangium Cellulosum, Strain So ce12

Identifiers

InChI

InChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3/b11-10-,14-12+,18-8+,19-9+,20-13+,21-15+,22-17-,25-16-/t29-,32+,33-,34-,35-,36+,37-/m0/s1

(Q105000168)

(2Z,4E,6R,8S,9Z,12S,20R,21E,23Z,25E,28R)-12,28-bis[(3S,4E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.1¹⁵,¹⁸.0⁶,⁸]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione

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