(Q105349296)

English

methyl (1R,2S,4aR,4bS,6aS,9R,10R,10aS,12aS)-10-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 10-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

560.371304004 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₂O₇

0 references

canonical SMILES

O=C(OC)CC1(C)C(CCC2(C)C1CC=C3C4C(O)(C)C(C)CCC4(C(=O)OC)CCC32C)C(C(=O)OC)(C)C

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isomeric SMILES

COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@H]1CC=C1[C@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@]12C

0 references

found in taxon

Musanga cecropioides

1 reference

stated in

Seco-ring-A-triterpenoids from the rootwood of Musanga cecropioides

Identifiers

InChI

InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25-,29+,30-,31-,32-,33+/m1/s1

0 references

InChIKey

YJIVUMOFAMUXNI-USBUXOHZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJIVUMOFAMUXNI-USBUXOHZSA-N

(Q105349296)

methyl (1R,2S,4aR,4bS,6aS,9R,10R,10aS,12aS)-10-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

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