(Q105375373)

English

(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-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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Statements

instance of

type of chemical entity

0 references

subclass of

2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-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

526.293053684 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2Z)-2-[(4S,5S,6S,8R,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-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 InChI

chemical formula

C₃₁H₄₂O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O

0 references

found in taxon

Chaetomidium setosum

1 reference

stated in

Isolation of New Tremorgenic Metabolites from an Ascomycete, Corynascus setosus.

Cephalosporium caerulens

1 reference

stated in

Studies on microbial products. I. Helvolic acid and related compounds. I. 7-desacetoxyhelvolic acid and helvolinic acid

Identifiers

InChI

InChI=1S/C31H42O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,13-14,17,20,22-23,25-26,34H,8,10-12,15H2,1-7H3,(H,36,37)/b24-19-/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1

0 references

InChIKey

ZGQQEJUGWPCCHA-SIZJDIOISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZGQQEJUGWPCCHA-SIZJDIOISA-N

ChEBI ID

209699

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H42O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,13-14,17,20,22-23,25-26,34H,8,10-12,15H2,1-7H3,(H,36,37)/b24-19-/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1

1 reference

Natural Product Atlas ID

NPA018417

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZGQQEJUGWPCCHA-SIZJDIOISA-N

(Q105375373)

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

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Identifiers

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