(Q104998452)

English

(3S,4aR,6aR,6bS,8aR,9R,11S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

chemical compound

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instance of

type of chemical entity

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subclass of

11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4Ar,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

OCC1(C)CC(O)C2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

0 references

isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(CO)C[C@@H](O)[C@]3(C)CC[C@]21C

0 references

found in taxon

Abrus melanospermus

1 reference

stated in

Studies on the leguminous plants. Part 17. Two new triterpenoid sapogenols and a new saponin from abrus cantoniensis(II).

Identifiers

InChI

InChI=1S/C30H50O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-26(3,18-31)17-24(33)27(20,4)14-15-29(19,30)6/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,26+,27-,28+,29-,30-/m1/s1

0 references

InChIKey

FNQMKNAFKUCFHU-ZPXMHXCHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNQMKNAFKUCFHU-ZPXMHXCHSA-N

(Q104998452)

(3S,4aR,6aR,6bS,8aR,9R,11S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

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