(Q110176630)

English

methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

488.386560144 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₄

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canonical SMILES

O=C(OC)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(C)(C)C(O)CC4)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](O)C(C)(C)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC

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found in taxon

Dysoxylum binectariferum

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Identifiers

InChI

InChI=1S/C31H52O4/c1-20(2)21-12-18-30(7)24(28(21,5)16-15-26(33)34-9)11-10-22-23(13-17-29(22,30)6)31(8)19-14-25(32)27(3,4)35-31/h21-25,32H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,28-,29+,30+,31-/m0/s1

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InChIKey

GCHBBBWUFBBCGA-GVEJJQTFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCHBBBWUFBBCGA-GVEJJQTFSA-N

1 reference

(Q110176630)

methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

Statements

Identifiers

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