(Q104968629)

English

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroxy-6-methyl-4-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-(5-Hydroxy-6-methyl-4-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

0 references

canonical SMILES

OC(C(=C)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C(C)C

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isomeric SMILES

C=C(C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](O)C(C)C

0 references

found in taxon

Euphorbia esula

1 reference

stated in

Ingenane diterpenoids from Euphorbia esula

Identifiers

InChI

InChI=1S/C31H52O2/c1-19(2)26(33)21(4)17-20(3)22-11-13-29(8)24-10-9-23-27(5,6)25(32)12-14-30(23)18-31(24,30)16-15-28(22,29)7/h19-20,22-26,32-33H,4,9-18H2,1-3,5-8H3/t20-,22-,23+,24+,25+,26-,28-,29+,30-,31+/m1/s1

0 references

InChIKey

CROIFUIXDDBNGA-ZLNMYLPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CROIFUIXDDBNGA-ZLNMYLPYSA-N

(Q104968629)

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroxy-6-methyl-4-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

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Identifiers

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