(Q105281749)

English

[(3R,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4,4,6a,6b,8a,11,11,14a-Octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

510.443681096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₈O₂

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canonical SMILES

O=C(OC1CCC2C(=CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(C)CCC34C)C1(C)C)C(C)CC

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C

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found in taxon

Euphorbia cyparissias

1 reference

stated in

Biologically Active Compounds from the Euphorbiaceae; 2. Two Triterpenoids ofEuphorbia cyparissias

Identifiers

InChI

InChI=1S/C35H58O2/c1-11-23(2)29(36)37-28-15-13-25-24(31(28,5)6)12-14-26-33(25,8)19-21-35(10)27-22-30(3,4)16-17-32(27,7)18-20-34(26,35)9/h12,23,25-28H,11,13-22H2,1-10H3/t23-,25-,26+,27-,28-,32-,33+,34-,35+/m1/s1

0 references

InChIKey

UYOJBGTTZMKWKJ-XTSJYNJGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYOJBGTTZMKWKJ-XTSJYNJGSA-N

(Q105281749)

[(3R,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] (2R)-2-methylbutanoate

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