(Q105225274)

English

[(1S,4R,5aS,5bR,7aR,9S,11aR,11bS)-4-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(4-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.360345396 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₈O₃

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5=C(CCC5C(C)C)C(O)CC43C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC=C4C5=C(CC[C@H]5C(C)C)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

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found in taxon

Koelpinia linearis

1 reference

stated in

Koelpinin-A, B and C--three triterpenoids from Koelpinia linearis

Identifiers

InChI

InChI=1S/C31H48O3/c1-18(2)20-9-10-21-23(33)17-31(8)22(27(20)21)11-12-25-29(6)15-14-26(34-19(3)32)28(4,5)24(29)13-16-30(25,31)7/h11,18,20,23-26,33H,9-10,12-17H2,1-8H3/t20-,23+,24-,25-,26-,29-,30+,31+/m0/s1

0 references

InChIKey

QPAYMQCYVQKZLP-RKCJVKEPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPAYMQCYVQKZLP-RKCJVKEPSA-N

(Q105225274)

[(1S,4R,5aS,5bR,7aR,9S,11aR,11bS)-4-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate

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