(Q105124416)

English

methyl (2S,3R,12bS,14aS,14bS)-3,10-dihydroxy-2,4a,6,9,12b,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

group of stereoisomers with the chemical formula C₃₀H₃₆O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

492.2511888719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₆O₆

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canonical SMILES

O=C1C=C2C(=CC=C3C4=C(C)CC5(C(=O)C(O)C(C(=O)OC)(C)CC5C4(C)CCC23C)C)C(=C1O)C

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isomeric SMILES

COC(=O)[C@@]1(C)C[C@@H]2C(C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C(=O)[C@@H]1O

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Identifiers

InChI

InChI=1S/C30H36O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,25,32,34H,10-11,13-14H2,1-7H3/t21-,25-,27+,28-,29?,30-/m0/s1

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InChIKey

JBKXDADFFNVBTG-UDEFCZFDSA-N

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PubChem CID

163194217

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JBKXDADFFNVBTG-UDEFCZFDSA-N

(Q105124416)

methyl (2S,3R,12bS,14aS,14bS)-3,10-dihydroxy-2,4a,6,9,12b,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

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