(Q104403105)

English

(3S,6R,11R,12R,15R,16R,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

group of stereoisomers with the chemical formula C₃₀H₅₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

serratane triterpenoid

1 reference

inferred from

serratane triterpenoid

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1(C)C)CC4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC3

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isomeric SMILES

CC1(C)C(O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@](C)(CC[C@H]5C(C)(C)C(O)CC[C@@]54C)CC3=CC[C@@H]12

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found in taxon

Pinus sibirica

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stated in

Chemical composition of the bark ofPinus sibirica

Identifiers

InChI

InChI=1S/C30H50O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,24?,25?,28+,29-,30+/m1/s1

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InChIKey

FMUNNDDBCLRMSL-FVEABYDRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FMUNNDDBCLRMSL-FVEABYDRSA-N

(Q104403105)

(3S,6R,11R,12R,15R,16R,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

Statements

Identifiers

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