(Q105121423)

English

[(3S,5R,10S,13S,14S,17S)-17-[(2S,5R)-5-acetyloxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-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

[17-(5-acetyloxy-6-methylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

0 references

canonical SMILES

O=C(OC(C(=C)C)CCC(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(OC(=O)C)C(C)(C)C4CC3)C)C

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isomeric SMILES

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

0 references

found in taxon

Euphorbia oxyphylla

1 reference

stated in

Triterpenes from Euphorbia broteri

Identifiers

InChI

InChI=1S/C34H54O4/c1-21(2)28(37-23(4)35)13-11-22(3)25-15-19-34(10)27-12-14-29-31(6,7)30(38-24(5)36)17-18-32(29,8)26(27)16-20-33(25,34)9/h22,25,28-30H,1,11-20H2,2-10H3/t22-,25-,28+,29-,30-,32+,33-,34+/m0/s1

0 references

InChIKey

IVZIKUZSFMHETB-VTMURXPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IVZIKUZSFMHETB-VTMURXPRSA-N

(Q105121423)

[(3S,5R,10S,13S,14S,17S)-17-[(2S,5R)-5-acetyloxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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