(Q105107099)

English

[(1S,5R,6R,14R,15S,17R,19S,22S)-10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(10,15,19-Trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-5-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

488.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₈

0 references

canonical SMILES

O=C1OC(C)C(OC(=O)C)C=2C1=C(O)C=C3OC4(C)C(O)CC5C(C)(C)C(O)CCC5(C)C4CC32

0 references

isomeric SMILES

CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1C3

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found in taxon

Penicillium

1 reference

stated in

Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.

Identifiers

InChI

InChI=1S/C27H36O8/c1-12-23(34-13(2)28)21-14-9-18-26(5)8-7-19(30)25(3,4)17(26)11-20(31)27(18,6)35-16(14)10-15(29)22(21)24(32)33-12/h10,12,17-20,23,29-31H,7-9,11H2,1-6H3/t12-,17+,18+,19+,20+,23+,26+,27-/m1/s1

0 references

InChIKey

GNZDUESCQVZNII-RIFOTZJASA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

GNZDUESCQVZNII-RIFOTZJASA-N

ChEBI ID

207038

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H36O8/c1-12-23(34-13(2)28)21-14-9-18-26(5)8-7-19(30)25(3,4)17(26)11-20(31)27(18,6)35-16(14)10-15(29)22(21)24(32)33-12/h10,12,17-20,23,29-31H,7-9,11H2,1-6H3/t12-,17+,18+,19+,20+,23+,26+,27-/m1/s1

1 reference

Natural Product Atlas ID

NPA022241

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GNZDUESCQVZNII-RIFOTZJASA-N

(Q105107099)

[(1S,5R,6R,14R,15S,17R,19S,22S)-10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-5-yl] acetate

Statements

Identifiers

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