(Q104954214)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

3,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene-8,19-dione

1 reference

based on heuristic

inferred from SMILES

mass

438.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₂

0 references

canonical SMILES

O=C1CCC2(C3=C(CCC2C1(C)C)CC4(C)CCC5C(C(=O)CCC5(C)C4CC3)(C)C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)C[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3

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found in taxon

Abies spectabilis

1 reference

stated in

Systematic phytochemical investigation of Abies spectabilis.

Identifiers

InChI

InChI=1S/C30H46O2/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/h21-23H,8-18H2,1-7H3/t21-,22-,23-,28+,29+,30-/m0/s1

0 references

InChIKey

CDCKBLNAQWOFID-FEGXBMLPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDCKBLNAQWOFID-FEGXBMLPSA-N

(Q104954214)

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

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Identifiers

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