(Q104947675)

English

(1R,3R,4R,14R,17E,20R)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

chemical compound

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instance of

type of chemical entity

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subclass of

3,9,25-Trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

1 reference

based on heuristic

inferred from SMILES

mass

548.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,4S,14S,17E,20S)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,4R,14S,20R)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

(1S,3S,4S,14R,17E,20S)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₇

0 references

canonical SMILES

O=C1C=C(C2=C(OC3(C)CC=CC(C)(C)CC4CC5=C(OC4(C)C(O)CC3C2)C=C(O)C(=O)C=C5C)C=C1O)C

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isomeric SMILES

Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@@]1(C)O2

0 references

found in taxon

Kionochaeta pughii

1 reference

stated in

Pughiinin A, a sesquiterpene from the fungus Kionochaeta pughii BCC 3878.

Identifiers

InChI

InChI=1S/C33H40O7/c1-18-10-24(34)26(36)15-28-22(18)12-20-14-30(38)33(6)21(17-31(3,4)8-7-9-32(20,5)39-28)13-23-19(2)11-25(35)27(37)16-29(23)40-33/h7-8,10-11,15-16,20-21,30,38H,9,12-14,17H2,1-6H3,(H,34,36)(H,35,37)/b8-7+/t20-,21+,30-,32-,33-/m1/s1

0 references

InChIKey

BWTQHPFSWXJOGP-ZFFRTPTDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWTQHPFSWXJOGP-ZFFRTPTDSA-N

(Q104947675)

(1R,3R,4R,14R,17E,20R)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione

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