(Q115972040)

English

(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-6-propanoyloxy-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2Z)-2-[(4S,6S,8S,10R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-6-propanoyloxy-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

582.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₆O₈

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canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C=CC(=O)C(C)C4C(OC(=O)CC)C(=O)C32C)C)CCC=C(C)C

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isomeric SMILES

CCC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H](CC[C@H]3/C(=C(\CCC=C(C)C)C(=O)O)[C@@H](OC(C)=O)C[C@@]32C)[C@@]2(C)C=CC(=O)[C@@H](C)[C@H]12

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found in taxon

Aspergillus fumigatus

1 reference

stated in

Helvolic Acid Derivatives with Antibacterial Activities against Streptococcus agalactiae from the Marine-Derived Fungus Aspergillus fumigatus HNMF0047

Identifiers

InChI

InChI=1S/C34H46O8/c1-9-26(37)42-29-28-19(4)23(36)15-16-32(28,6)25-14-13-22-27(21(31(39)40)12-10-11-18(2)3)24(41-20(5)35)17-33(22,7)34(25,8)30(29)38/h11,15-16,19,22,24-25,28-29H,9-10,12-14,17H2,1-8H3,(H,39,40)/b27-21-/t19-,22+,24+,25+,28-,29+,32-,33+,34-/m1/s1

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InChIKey

UMOXIFPTOXHFEO-XARGSBJLSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

UMOXIFPTOXHFEO-XARGSBJLSA-N

1 reference

(Q115972040)

(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-6-propanoyloxy-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

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