(Q105152708)

English

[(3S,5R,9S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

Butyrospermol acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

5alpha-Tirucalla-7,24-dien-3beta-ol acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)CCC=C(C)C)C4(C)CC3)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]4(C)C3=CC[C@H]2C1(C)C

0 references

found in taxon

Populus tremula

1 reference

stated in

Triterpene alcohols from the leaves of Populus tremula

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,22,24-25,27-28H,10,12,14-20H2,1-9H3/t22-,24-,25+,27-,28-,30+,31-,32+/m0/s1

0 references

InChIKey

LJPRHQWBGLMFJJ-HXXBOFAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJPRHQWBGLMFJJ-HXXBOFAMSA-N

(Q105152708)

[(3S,5R,9S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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