(Q105327200)

English

[(3R,4R,4aS,6aS,6aS,6bR,8aS,10R,12aR,14aS,14bS)-10-acetyloxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(10-Acetyloxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₆O₄

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canonical SMILES

O=C(OC1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)C(OC(=O)C)CC5(C)CCC34C)C1C)C

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isomeric SMILES

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

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found in taxon

Euphorbia tortilis

1 reference

stated in

Two D:A-friedo-oleanane derivatives from Euphorbia tortilis

Identifiers

InChI

InChI=1S/C34H56O4/c1-21-24(37-22(2)35)11-12-25-31(21,7)14-13-26-32(25,8)16-18-34(10)27-19-29(4,5)28(38-23(3)36)20-30(27,6)15-17-33(26,34)9/h21,24-28H,11-20H2,1-10H3/t21-,24+,25+,26-,27+,28+,30-,31+,32-,33+,34-/m0/s1

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InChIKey

XFQRSENHJSWRIO-HAINMXBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFQRSENHJSWRIO-HAINMXBRSA-N

(Q105327200)

[(3R,4R,4aS,6aS,6aS,6bR,8aS,10R,12aR,14aS,14bS)-10-acetyloxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate

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Identifiers

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