(Q105165192)

English

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₄O₄

0 references

canonical SMILES

O=C(OCC12CCC(C(=C)C)C2C3CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Euphorbia oxyphylla

1 reference

stated in

Triterpenes from Euphorbia broteri

Identifiers

InChI

InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25-,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1

0 references

InChIKey

MIROITGPMGDCGI-RQGHOPTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIROITGPMGDCGI-RQGHOPTCSA-N

(Q105165192)

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate

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Identifiers

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