(Q105208198)

English

(9S,10E,12R,17R,24R)-9-ethyl-4,24-dihydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.05,23.020,24]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone

group of stereoisomers with the chemical formula C₂₈H₃₁NO₈

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Statements

instance of

group of stereoisomers

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1 reference

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509.204966952 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁NO₈

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canonical SMILES

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

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isomeric SMILES

CC[C@@H]1/C=C/[C@H](C(C)O)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

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stated in

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

Identifiers

InChI

InChI=1S/C28H31NO8/c1-5-16-6-8-19(31)24-23-17(10-13(2)25(24)33)28(36)18(26(34)29-22(28)12-20(23)32)11-14(3)27(35)37-21(9-7-16)15(4)30/h7,9-12,15-16,18,21,30,33,36H,5-6,8H2,1-4H3,(H,29,34)/b9-7+,14-11?/t15?,16-,18-,21+,28-/m0/s1

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InChIKey

PFWPLMVAUKIPIA-NETZGBDISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFWPLMVAUKIPIA-NETZGBDISA-N

(Q105208198)

(9S,10E,12R,17R,24R)-9-ethyl-4,24-dihydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.05,23.020,24]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone

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Identifiers

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