(Q105156217)

English

(1S,2S,11S,14S,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(2S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

1 reference

based on heuristic

inferred from SMILES

(1S,2S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

1 reference

based on heuristic

inferred from SMILES

(1S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

1 reference

based on heuristic

inferred from SMILES

1,1,4a,6a,8,12b-Hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthene-2,10-diol

1 reference

based on heuristic

inferred from SMILES

mass

412.29774514 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,11S,14S,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,11R,14R,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

1 reference

1 reference

1 reference

(1S,2S,11R,14R,15S,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

1 reference

based on heuristic

inferred from InChI

2beta,3alpha-Epitaondiol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₃

0 references

canonical SMILES

OC=1C=C(C=2OC3(C)CCC4C(C)(CCC5C(C)(C)C(O)CCC54C)C3CC2C1)C

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isomeric SMILES

Cc1cc(O)cc2c1O[C@@]1(C)CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]1C2

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found in taxon

Stypopodium flabelliforme

1 reference

stated in

Anti-proliferative activity of meroditerpenoids isolated from the brown alga Stypopodium flabelliforme against several cancer cell lines.

Identifiers

InChI

InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20-,21-,22-,25-,26-,27-/m0/s1

0 references

InChIKey

LRMHPGVONLYGQD-LHDKZUJLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105156217)

(1S,2S,11S,14S,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol

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Identifiers

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