(Q104949377)

English

[(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1S,3R,6S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl acetate

1 reference

based on heuristic

inferred from SMILES

24-Methylenecycloartanol acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,3R,8R,11R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

482.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-(4-Isopropyl-1-methyl-4-pentenyl)-3a,6,6,12a-tetramethyltetradecahyd ro-1H-cyclopenta[a]cyclopropa

1 reference

based on heuristic

inferred from InChI

[(1R,3S,6S,8S,11S,12R,15S,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₄O₂

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(=C)C(C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Baccharoides anthelmintica

1 reference

stated in

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

Identifiers

InChI

InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23-,25-,26+,27-,28+,30-,31+,32-,33+/m1/s1

0 references

InChIKey

BYIMYSSYXBYIBJ-XNZDXPJKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BYIMYSSYXBYIBJ-XNZDXPJKSA-N

(Q104949377)

[(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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