(Q104916562)

English

[(3S,5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,5,6,7,8,12,15,16,17-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

[4,4,10,13,14-pentamethyl-17-(5,5,6-trimethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₆O₂

0 references

canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C(CCC4(C)C3CCC2C1(C)C)C(C)CCC(C(=C)C)(C)C)C)C

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isomeric SMILES

C=C(C)C(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@]4(C)C3=CC[C@]12C

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found in taxon

Quercus gilva

1 reference

stated in

Studies on the constituents of Quercus spp. VII. Triterpenes of Quercus gilva Blume (author's transl)

Identifiers

InChI

InChI=1S/C34H56O2/c1-22(2)30(5,6)18-14-23(3)25-15-20-34(11)27-12-13-28-31(7,8)29(36-24(4)35)17-19-32(28,9)26(27)16-21-33(25,34)10/h16,23,25,27-29H,1,12-15,17-21H2,2-11H3/t23-,25-,27-,28+,29+,32-,33-,34+/m1/s1

0 references

InChIKey

APUZHXXQFIUZAJ-WTUJDCJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APUZHXXQFIUZAJ-WTUJDCJSSA-N

(Q104916562)

[(3S,5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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