(Q105312546)

English

[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6-acetyloxy-17-[(6S)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(acetyloxy)-1-[6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-3a,3b,6,9a-tetramethyl-4,7-dioxo-decahydro-2H-cyclopenta[a]phenanthren-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

586.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₉

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canonical SMILES

O=C1OC(CCC1=C2C(OC(=O)C)CC3(C)C2CCC4C3(C(=O)C(OC(=O)C)C5C(C(=O)CCC45C)C)C)C(O)(C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](OC(C)=O)[C@H]2[C@H](C)C(=O)CC[C@@]23C)C1=C1CC[C@@H](C(C)(C)O)OC1=O

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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/C33H46O9/c1-16-21(36)13-14-31(6)23-11-10-20-25(19-9-12-24(30(4,5)39)42-29(19)38)22(40-17(2)34)15-32(20,7)33(23,8)28(37)27(26(16)31)41-18(3)35/h16,20,22-24,26-27,39H,9-15H2,1-8H3/t16-,20+,22+,23+,24+,26-,27+,31-,32+,33-/m1/s1

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InChIKey

WTHKHCCTZZPZPB-JIGOLBMKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTHKHCCTZZPZPB-JIGOLBMKSA-N

1 reference

(Q105312546)

[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6-acetyloxy-17-[(6S)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Statements

Identifiers

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