(Q105234061)

English

CID 91886690

chemical compound

In more languages

Statements

type of chemical entity

0 references

Cyclomusalenone

1 reference

based on heuristic

inferred from SMILES

(3R,8S,11S,12S,16R)-15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

424.37051615599995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1S,3R,7R,8S,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

0 references

canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(C(=C)C)C

0 references

isomeric SMILES

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

0 references

Identifiers

InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-24,26H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1

0 references

RCXORQWZHHYMBR-WMHPZHBYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID001316915

1 reference

matched by identifier from

RCXORQWZHHYMBR-WMHPZHBYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RCXORQWZHHYMBR-WMHPZHBYSA-N

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