(Q105156219)

English

(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

group of stereoisomers with the chemical formula C₂₇H₄₀O₃

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Statements

instance of

group of stereoisomers

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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,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

mass

412.29774513999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₀O₃

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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)CCC3C4(C)CCC(O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@H]1C2

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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

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InChIKey

LRMHPGVONLYGQD-MUBJRCALSA-N

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PubChem CID

163194296

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LRMHPGVONLYGQD-MUBJRCALSA-N

(Q105156219)

(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

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