(Q105372423)

English

(3bR,9R,9aR,11R,11aR)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,9,11-triol

group of stereoisomers with the chemical formula C₃₀H₅₂O₅

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

492.3814747639999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₂O₅

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canonical SMILES

OC1CC2C(C)(CCC3C(C)(C)C(O)CC(O)C32C)C4(C)CCC(C14)C5(OC(CC5)C(O)(C)C)C

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isomeric SMILES

CC1(C)C(O)C[C@@H](O)[C@@]2(C)C1CC[C@]1(C)C2C[C@@H](O)[C@@H]2C([C@@]3(C)CC[C@@H](C(C)(C)O)O3)CCC21C

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Identifiers

InChI

InChI=1S/C30H52O5/c1-25(2)19-10-13-27(5)20(30(19,8)22(33)16-21(25)32)15-18(31)24-17(9-12-28(24,27)6)29(7)14-11-23(35-29)26(3,4)34/h17-24,31-34H,9-16H2,1-8H3/t17?,18-,19?,20?,21?,22-,23+,24+,27-,28?,29-,30+/m1/s1

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InChIKey

ZDMWPLUKUXQVLI-BIFUZHIISA-N

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PubChem CID

6711995

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZDMWPLUKUXQVLI-BIFUZHIISA-N

1 reference

(Q105372423)

(3bR,9R,9aR,11R,11aR)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,9,11-triol

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