(Q105200841)

English

(9S,10E,12S,13S,18S,25R)-9-ethyl-4,25-dihydroxy-3,12,13,16-tetramethyl-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

507.225702396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9S,10E,12S,13S,16Z,18S,25R)-9-ethyl-4,25-dihydroxy-3,12,13,16-tetramethyl-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₃NO₇

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canonical SMILES

O=C1OC(C)C(C=CC(CC)CCC(=O)C=2C(O)=C(C=C3C2C(=O)C=C4NC(=O)C(C=C1C)C43O)C)C

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isomeric SMILES

CC[C@@H]1/C=C/[C@H](C)[C@H](C)OC(=O)C(C)=C[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O

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found in taxon

Streptomyces

1 reference

stated in

Hygrocins C-G, cytotoxic naphthoquinone ansamycins from gdmAI-disrupted Streptomyces sp. LZ35.

Identifiers

InChI

InChI=1S/C29H33NO7/c1-6-18-8-7-14(2)17(5)37-28(35)16(4)12-20-27(34)30-23-13-22(32)24-19(29(20,23)36)11-15(3)26(33)25(24)21(31)10-9-18/h7-8,11-14,17-18,20,33,36H,6,9-10H2,1-5H3,(H,30,34)/b8-7+,16-12?/t14-,17-,18+,20+,29-/m0/s1

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InChIKey

OVMQCHFOHIXVOY-SSTPINGOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVMQCHFOHIXVOY-SSTPINGOSA-N

(Q105200841)

(9S,10E,12S,13S,18S,25R)-9-ethyl-4,25-dihydroxy-3,12,13,16-tetramethyl-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone

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Identifiers

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