(Q105288982)

English

(7E,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26E)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone

chemical compound

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instance of

type of chemical entity

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subclass of

(7Z,12Z,16Z,22Z,24Z,26Z)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

687.30434664 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₅NO₁₀

0 references

canonical SMILES

CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(=O)C(=C3O)NC(=O)C=CC=CC=CC(C)C(O)CC1=O

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isomeric SMILES

C/C1=C/C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(=O)C(=C3O)NC(=O)/C=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O

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found in taxon

Streptomyces diastatochromogenes

1 reference

stated in

New ansamycin antibiotics, diastovaricins I and II

Streptomyces

1 reference

stated in

Cineromycins, gamma-butyrolactones and ansamycins by analysis of the secondary metabolite pattern created by a single strain of Streptomyces

Identifiers

InChI

InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10+,16-14-,21-13-,24-17+/t20-,22-,23-,26-,28-,34-/m0/s1

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InChIKey

VMGZUMXAOXKLLT-JCSLSUOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMGZUMXAOXKLLT-JCSLSUOQSA-N

1 reference

(Q105288982)

(7E,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26E)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone

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