(Q105186638)

English

[(4S,5aS,5bR,7aS,11aS,11bR,13aR)-4-hydroxy-2,5b,8,8,11a,13a-hexamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-13-yl] acetate

group of stereoisomers with the chemical formula C₂₈H₄₂O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

442.308309824 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₄

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canonical SMILES

O=C(OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC(O)C=5C=C(OC5C14C)C)C

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isomeric SMILES

CC(=O)OC1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@H](O)c3cc(C)oc3[C@@]12C

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Identifiers

InChI

InChI=1S/C28H42O4/c1-16-13-18-19(30)14-22-27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)15-23(32-17(2)29)28(22,7)24(18)31-16/h13,19-23,30H,8-12,14-15H2,1-7H3/t19-,20-,21+,22-,23?,26-,27+,28+/m0/s1

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InChIKey

NWJJFSYBNHVKHV-YOSNZTECSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NWJJFSYBNHVKHV-YOSNZTECSA-N

(Q105186638)

[(4S,5aS,5bR,7aS,11aS,11bR,13aR)-4-hydroxy-2,5b,8,8,11a,13a-hexamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-13-yl] acetate

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